REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3dam_1_A DATA FIRST_RESID 6 DATA SEQUENCE KPLREIPGSY GIPFFQPIKD RLEYFYGTGG RDEYFRSRMQ KYQSTVFRAN DATA SEQUENCE MPPGPFVSSN PKVIVLLDAK SFPILFDVSK VEKKDLFTGT YMPSTKLTGG DATA SEQUENCE YRVLSYLDPS EPRHAQLKNL LFFMLKNSSN RVIPQFETTY TELFEGLEAE DATA SEQUENCE LAKNGKAAFN DVGEQAAFRF LGRAYFNSNP EETKLGTSAP TLISSWVLFN DATA SEQUENCE LAPTLDLGLP WFLQEPLLHT FRLPAFLIKS TYNKLYDYFQ SVATPVMEQA DATA SEQUENCE EKLGVPKDEA VHNILFAVCF NTFGGVKILF PNTLKWIGLA GENLHTQLAE DATA SEQUENCE EIRGAIKSYG DGNVTLEAIE QMPLTKSVVY ESLRIEPPVP PQYGKAKSNF DATA SEQUENCE TIESHDATFE VKKGEMLFGY QPFATKDPKV FDRPEEYVPD RFVGDGEALL DATA SEQUENCE KYVWWSNGPE TESPTVENKQ CAGKDFVVLI TRLFVIELFR RYDSFEIELG DATA SEQUENCE ESPLGAAVTL TFLKRAS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.549 176.600 -0.085 0.000 0.988 6 K CA 0.000 56.259 56.287 -0.047 0.000 0.838 6 K CB 0.000 32.479 32.500 -0.035 0.000 1.064 7 P HA -0.046 nan 4.420 nan 0.000 0.267 7 P C -0.086 177.125 177.300 -0.148 0.000 1.200 7 P CA -0.584 62.464 63.100 -0.088 0.000 0.772 7 P CB 0.745 32.408 31.700 -0.061 0.000 0.855 8 L N 3.295 124.443 121.223 -0.125 0.000 2.490 8 L HA 0.202 4.543 4.340 0.002 0.000 0.274 8 L C 0.625 177.402 176.870 -0.155 0.000 1.201 8 L CA 0.687 55.435 54.840 -0.154 0.000 0.869 8 L CB -0.385 41.623 42.059 -0.085 0.000 1.123 8 L HN 0.550 nan 8.230 nan 0.000 0.484 9 R N 3.289 123.659 120.500 -0.217 0.000 2.739 9 R HA 0.359 4.700 4.340 0.002 0.000 0.271 9 R C -1.169 175.140 176.300 0.015 0.000 1.010 9 R CA -0.801 55.230 56.100 -0.115 0.000 0.897 9 R CB 1.236 31.447 30.300 -0.149 0.000 1.236 9 R HN 0.776 nan 8.270 nan 0.000 0.466 10 E N 2.548 122.798 120.200 0.083 0.000 2.343 10 E HA 0.191 4.542 4.350 0.002 0.000 0.269 10 E C -0.473 176.262 176.600 0.224 0.000 1.047 10 E CA -0.518 55.955 56.400 0.123 0.000 0.874 10 E CB 0.795 30.527 29.700 0.053 0.000 1.033 10 E HN 0.407 nan 8.360 nan 0.000 0.409 11 I N 6.584 127.264 120.570 0.184 0.000 2.517 11 I HA 0.129 4.300 4.170 0.002 0.000 0.285 11 I C -1.663 174.402 176.117 -0.086 0.000 1.106 11 I CA -1.650 59.673 61.300 0.039 0.000 1.402 11 I CB 0.343 38.275 38.000 -0.114 0.000 1.399 11 I HN 0.443 nan 8.210 nan 0.000 0.535 12 P HA 0.353 nan 4.420 nan 0.000 0.274 12 P C -0.016 176.903 177.300 -0.635 0.000 1.246 12 P CA 0.158 63.044 63.100 -0.357 0.000 0.795 12 P CB 1.164 32.660 31.700 -0.340 0.000 1.006 13 G N -1.002 107.276 108.800 -0.870 0.000 2.539 13 G HA2 0.245 4.206 3.960 0.002 0.000 0.686 13 G HA3 0.245 4.206 3.960 0.002 0.000 0.686 13 G C -1.231 173.425 174.900 -0.406 0.000 1.258 13 G CA -0.203 44.469 45.100 -0.714 0.000 0.846 13 G HN 0.700 nan 8.290 nan 0.000 0.647 14 S N -0.748 114.771 115.700 -0.303 0.000 2.546 14 S HA 0.664 5.135 4.470 0.002 0.000 0.272 14 S C 0.268 174.732 174.600 -0.226 0.000 1.140 14 S CA -0.424 57.612 58.200 -0.273 0.000 0.920 14 S CB 1.114 64.263 63.200 -0.086 0.000 1.083 14 S HN 0.965 nan 8.310 nan 0.000 0.476 15 Y N 3.348 123.665 120.300 0.028 0.000 2.544 15 Y HA 0.316 4.867 4.550 0.002 0.000 0.286 15 Y C 1.939 177.864 175.900 0.043 0.000 1.141 15 Y CA 0.474 58.593 58.100 0.032 0.000 1.299 15 Y CB -0.678 37.797 38.460 0.024 0.000 1.030 15 Y HN 1.111 nan 8.280 nan 0.000 0.543 16 G N 1.038 109.934 108.800 0.161 0.000 2.692 16 G HA2 -0.321 3.640 3.960 0.002 0.000 0.248 16 G HA3 -0.321 3.640 3.960 0.002 0.000 0.248 16 G C -0.176 174.824 174.900 0.166 0.000 1.340 16 G CA -0.345 44.844 45.100 0.149 0.000 0.896 16 G HN 0.203 nan 8.290 nan 0.000 0.570 17 I N 2.157 122.842 120.570 0.191 0.000 2.662 17 I HA 0.059 4.231 4.170 0.002 0.000 0.285 17 I C -0.695 175.541 176.117 0.198 0.000 1.161 17 I CA -0.935 60.475 61.300 0.183 0.000 1.415 17 I CB 1.011 39.122 38.000 0.185 0.000 1.385 17 I HN 0.294 nan 8.210 nan 0.000 0.552 18 P HA -0.261 nan 4.420 nan 0.000 0.221 18 P C 0.904 178.313 177.300 0.183 0.000 1.151 18 P CA 1.813 64.996 63.100 0.137 0.000 0.843 18 P CB 0.093 31.861 31.700 0.113 0.000 0.778 19 F N -3.651 116.329 119.950 0.050 0.000 2.658 19 F HA 0.234 4.762 4.527 0.002 0.000 0.293 19 F C 1.815 177.643 175.800 0.047 0.000 0.986 19 F CA -0.413 57.588 58.000 0.002 0.000 1.182 19 F CB -0.363 38.633 39.000 -0.008 0.000 0.965 19 F HN -0.285 nan 8.300 nan 0.000 0.659 20 F N 1.618 121.627 119.950 0.098 0.000 2.075 20 F HA -0.128 4.401 4.527 0.002 0.000 0.297 20 F C 2.481 178.249 175.800 -0.053 0.000 1.113 20 F CA 2.302 60.317 58.000 0.025 0.000 1.218 20 F CB -0.644 38.403 39.000 0.079 0.000 0.984 20 F HN 0.029 nan 8.300 nan 0.000 0.472 21 Q N 1.185 121.002 119.800 0.029 0.000 2.020 21 Q HA -0.119 4.223 4.340 0.002 0.000 0.202 21 Q C -0.611 175.287 176.000 -0.169 0.000 0.982 21 Q CA 2.444 58.188 55.803 -0.098 0.000 0.838 21 Q CB -1.724 27.070 28.738 0.093 0.000 0.899 21 Q HN 0.274 nan 8.270 nan 0.000 0.423 22 P HA -0.137 nan 4.420 nan 0.000 0.221 22 P C 0.919 178.061 177.300 -0.262 0.000 1.145 22 P CA 1.210 64.199 63.100 -0.185 0.000 0.795 22 P CB -0.010 31.573 31.700 -0.196 0.000 0.775 23 I N -0.059 120.304 120.570 -0.345 0.000 2.400 23 I HA -0.126 4.045 4.170 0.002 0.000 0.248 23 I C 2.757 178.719 176.117 -0.258 0.000 1.109 23 I CA 1.073 62.180 61.300 -0.321 0.000 1.425 23 I CB -0.379 37.389 38.000 -0.386 0.000 1.094 23 I HN -0.082 nan 8.210 nan 0.000 0.425 24 K N 1.057 121.239 120.400 -0.362 0.000 2.057 24 K HA -0.216 4.105 4.320 0.002 0.000 0.207 24 K C 1.621 178.117 176.600 -0.173 0.000 1.049 24 K CA 1.806 57.892 56.287 -0.334 0.000 0.931 24 K CB -0.016 32.156 32.500 -0.546 0.000 0.714 24 K HN 0.173 nan 8.250 nan 0.000 0.440 25 D N 0.612 120.929 120.400 -0.139 0.000 2.117 25 D HA -0.192 4.449 4.640 0.002 0.000 0.197 25 D C 2.039 178.288 176.300 -0.084 0.000 0.987 25 D CA 1.355 55.349 54.000 -0.009 0.000 0.829 25 D CB -0.163 40.665 40.800 0.047 0.000 0.961 25 D HN 0.463 nan 8.370 nan 0.000 0.460 26 R N 0.834 121.222 120.500 -0.186 0.000 2.115 26 R HA -0.014 4.327 4.340 0.002 0.000 0.226 26 R C 2.297 178.558 176.300 -0.064 0.000 1.100 26 R CA 0.669 56.597 56.100 -0.286 0.000 0.980 26 R CB -0.662 29.513 30.300 -0.208 0.000 0.875 26 R HN 0.183 nan 8.270 nan 0.000 0.445 27 L N 1.043 122.306 121.223 0.067 0.000 2.083 27 L HA -0.104 4.238 4.340 0.002 0.000 0.209 27 L C 2.826 179.794 176.870 0.163 0.000 1.083 27 L CA 1.727 56.718 54.840 0.253 0.000 0.752 27 L CB -0.558 41.536 42.059 0.059 0.000 0.899 27 L HN 0.417 nan 8.230 nan 0.000 0.433 28 E N -0.120 120.100 120.200 0.034 0.000 2.047 28 E HA -0.286 4.065 4.350 0.002 0.000 0.191 28 E C 2.234 178.804 176.600 -0.049 0.000 0.987 28 E CA 1.386 57.812 56.400 0.043 0.000 0.799 28 E CB -0.208 29.564 29.700 0.120 0.000 0.752 28 E HN 0.437 nan 8.360 nan 0.000 0.449 29 Y N -0.164 119.860 120.300 -0.460 0.000 2.151 29 Y HA -0.268 4.283 4.550 0.002 0.000 0.284 29 Y C 1.724 177.183 175.900 -0.734 0.000 1.166 29 Y CA 2.081 59.617 58.100 -0.939 0.000 1.163 29 Y CB -0.200 37.343 38.460 -1.528 0.000 0.974 29 Y HN 0.063 nan 8.280 nan 0.000 0.511 30 F N -2.501 117.259 119.950 -0.317 0.000 2.387 30 F HA 0.011 4.539 4.527 0.002 0.000 0.294 30 F C 1.038 176.330 175.800 -0.848 0.000 1.093 30 F CA 0.738 58.346 58.000 -0.653 0.000 1.420 30 F CB -0.528 37.911 39.000 -0.935 0.000 1.086 30 F HN 0.034 nan 8.300 nan 0.000 0.531 31 Y N -0.952 119.430 120.300 0.136 0.000 2.426 31 Y HA 0.419 4.970 4.550 0.002 0.000 0.249 31 Y C 1.603 177.511 175.900 0.013 0.000 1.103 31 Y CA -0.767 57.377 58.100 0.074 0.000 1.256 31 Y CB -0.704 37.792 38.460 0.061 0.000 1.208 31 Y HN -0.152 nan 8.280 nan 0.000 0.519 32 G N 1.284 110.121 108.800 0.062 0.000 2.491 32 G HA2 0.273 4.234 3.960 0.002 0.000 0.238 32 G HA3 0.273 4.234 3.960 0.002 0.000 0.238 32 G C 0.222 175.133 174.900 0.018 0.000 1.277 32 G CA -0.185 44.934 45.100 0.033 0.000 0.851 32 G HN 0.201 nan 8.290 nan 0.000 0.573 33 T N -0.867 113.702 114.554 0.025 0.000 2.888 33 T HA 0.431 4.782 4.350 0.002 0.000 0.301 33 T C 1.444 176.152 174.700 0.014 0.000 1.001 33 T CA 0.533 62.648 62.100 0.025 0.000 1.147 33 T CB 1.197 70.081 68.868 0.028 0.000 0.931 33 T HN 2.103 nan 8.240 nan 0.000 0.541 34 G N 1.694 110.505 108.800 0.018 0.000 2.213 34 G HA2 0.225 4.186 3.960 0.002 0.000 0.226 34 G HA3 0.225 4.186 3.960 0.002 0.000 0.226 34 G C 0.976 175.875 174.900 -0.002 0.000 0.992 34 G CA 0.316 45.431 45.100 0.025 0.000 0.632 34 G HN 2.363 nan 8.290 nan 0.000 0.511 35 G N 0.319 109.085 108.800 -0.058 0.000 2.645 35 G HA2 -0.078 3.883 3.960 0.002 0.000 0.246 35 G HA3 -0.078 3.883 3.960 0.002 0.000 0.246 35 G C 0.990 175.710 174.900 -0.299 0.000 1.322 35 G CA 1.549 46.551 45.100 -0.163 0.000 0.898 35 G HN 1.734 nan 8.290 nan 0.000 0.573 36 R N -0.272 119.909 120.500 -0.532 0.000 2.152 36 R HA -0.039 4.303 4.340 0.002 0.000 0.232 36 R C 1.657 177.677 176.300 -0.466 0.000 1.117 36 R CA 2.163 57.752 56.100 -0.851 0.000 0.981 36 R CB -0.444 29.160 30.300 -1.159 0.000 0.870 36 R HN 0.463 nan 8.270 nan 0.000 0.451 37 D N 1.236 121.583 120.400 -0.089 0.000 2.084 37 D HA -0.182 4.459 4.640 0.002 0.000 0.194 37 D C 1.796 178.242 176.300 0.242 0.000 0.990 37 D CA 1.539 55.679 54.000 0.233 0.000 0.826 37 D CB -0.247 40.790 40.800 0.396 0.000 0.971 37 D HN 0.281 nan 8.370 nan 0.000 0.453 38 E N -0.470 119.800 120.200 0.116 0.000 2.153 38 E HA -0.190 4.162 4.350 0.002 0.000 0.194 38 E C 1.909 178.523 176.600 0.023 0.000 0.988 38 E CA 0.734 57.190 56.400 0.093 0.000 0.811 38 E CB -0.487 29.238 29.700 0.041 0.000 0.746 38 E HN 0.426 nan 8.360 nan 0.000 0.466 39 Y N -0.460 119.690 120.300 -0.251 0.000 2.165 39 Y HA -0.234 4.317 4.550 0.002 0.000 0.286 39 Y C 1.539 177.284 175.900 -0.258 0.000 1.155 39 Y CA 2.023 59.907 58.100 -0.360 0.000 1.164 39 Y CB -0.283 37.791 38.460 -0.643 0.000 0.978 39 Y HN 0.068 nan 8.280 nan 0.000 0.513 40 F N -0.511 119.498 119.950 0.099 0.000 2.219 40 F HA 0.065 4.593 4.527 0.002 0.000 0.294 40 F C 2.644 178.596 175.800 0.254 0.000 1.086 40 F CA 1.225 59.317 58.000 0.154 0.000 1.330 40 F CB -0.926 37.999 39.000 -0.125 0.000 1.047 40 F HN -0.112 nan 8.300 nan 0.000 0.495 41 R N 0.743 121.535 120.500 0.486 0.000 2.096 41 R HA -0.150 4.192 4.340 0.002 0.000 0.235 41 R C 2.362 178.760 176.300 0.164 0.000 1.127 41 R CA 1.763 58.120 56.100 0.429 0.000 0.968 41 R CB -0.346 30.180 30.300 0.376 0.000 0.861 41 R HN 0.402 nan 8.270 nan 0.000 0.440 42 S N 0.105 115.823 115.700 0.029 0.000 2.383 42 S HA -0.110 4.361 4.470 0.002 0.000 0.227 42 S C 1.941 176.394 174.600 -0.244 0.000 1.026 42 S CA 0.737 58.876 58.200 -0.101 0.000 0.981 42 S CB -0.273 62.844 63.200 -0.139 0.000 0.818 42 S HN 0.378 nan 8.310 nan 0.000 0.472 43 R N 0.283 120.570 120.500 -0.355 0.000 2.115 43 R HA 0.174 4.515 4.340 0.002 0.000 0.226 43 R C 2.531 178.526 176.300 -0.508 0.000 1.100 43 R CA 1.285 56.972 56.100 -0.687 0.000 0.980 43 R CB -0.406 29.222 30.300 -1.120 0.000 0.875 43 R HN 0.489 nan 8.270 nan 0.000 0.445 44 M N 0.862 120.408 119.600 -0.091 0.000 2.067 44 M HA -0.271 4.210 4.480 0.002 0.000 0.260 44 M C 2.457 178.812 176.300 0.092 0.000 1.069 44 M CA 1.813 57.255 55.300 0.237 0.000 1.117 44 M CB -0.088 32.751 32.600 0.398 0.000 1.334 44 M HN 0.130 nan 8.290 nan 0.000 0.407 45 Q N 0.438 120.245 119.800 0.011 0.000 2.020 45 Q HA -0.276 4.065 4.340 0.002 0.000 0.202 45 Q C 2.074 178.010 176.000 -0.106 0.000 0.982 45 Q CA 2.190 57.980 55.803 -0.022 0.000 0.838 45 Q CB -0.280 28.438 28.738 -0.033 0.000 0.899 45 Q HN 0.540 nan 8.270 nan 0.000 0.423 46 K N -0.680 119.557 120.400 -0.271 0.000 2.074 46 K HA -0.202 4.119 4.320 0.002 0.000 0.209 46 K C 1.171 177.523 176.600 -0.412 0.000 1.048 46 K CA 1.689 57.709 56.287 -0.445 0.000 0.926 46 K CB -0.095 31.930 32.500 -0.792 0.000 0.713 46 K HN 0.313 nan 8.250 nan 0.000 0.444 47 Y N 0.663 120.922 120.300 -0.068 0.000 2.457 47 Y HA 0.185 4.736 4.550 0.002 0.000 0.263 47 Y C 0.063 176.000 175.900 0.061 0.000 1.164 47 Y CA -0.302 57.794 58.100 -0.007 0.000 1.274 47 Y CB 0.402 38.854 38.460 -0.013 0.000 1.097 47 Y HN 0.057 nan 8.280 nan 0.000 0.523 48 Q N 0.717 120.615 119.800 0.163 0.000 2.435 48 Q HA -0.215 4.126 4.340 0.002 0.000 0.312 48 Q C -0.190 175.942 176.000 0.220 0.000 1.333 48 Q CA 1.219 57.116 55.803 0.156 0.000 0.883 48 Q CB -1.696 27.114 28.738 0.120 0.000 1.170 48 Q HN 0.379 nan 8.270 nan 0.000 0.443 49 S N -1.727 114.144 115.700 0.285 0.000 2.537 49 S HA 0.525 4.997 4.470 0.002 0.000 0.271 49 S C 0.598 175.415 174.600 0.361 0.000 1.148 49 S CA 0.155 58.544 58.200 0.315 0.000 0.868 49 S CB 1.588 64.982 63.200 0.323 0.000 1.115 49 S HN 0.272 nan 8.310 nan 0.000 0.461 50 T N 0.127 114.829 114.554 0.247 0.000 3.122 50 T HA 0.395 4.746 4.350 0.002 0.000 0.250 50 T C 0.012 174.669 174.700 -0.071 0.000 1.067 50 T CA -0.043 62.162 62.100 0.175 0.000 0.966 50 T CB -0.170 68.795 68.868 0.162 0.000 1.002 50 T HN 0.392 nan 8.240 nan 0.000 0.542 51 V N 2.671 122.500 119.914 -0.141 0.000 2.525 51 V HA 0.764 4.885 4.120 0.002 0.000 0.299 51 V C -1.031 174.850 176.094 -0.355 0.000 1.034 51 V CA -1.158 60.859 62.300 -0.472 0.000 0.863 51 V CB 1.225 32.574 31.823 -0.789 0.000 0.999 51 V HN 0.570 nan 8.190 nan 0.000 0.423 52 F N 1.967 121.780 119.950 -0.227 0.000 2.741 52 F HA 0.747 5.276 4.527 0.002 0.000 0.311 52 F C -0.693 174.998 175.800 -0.181 0.000 1.149 52 F CA -1.576 56.276 58.000 -0.246 0.000 0.930 52 F CB 1.292 40.200 39.000 -0.154 0.000 1.312 52 F HN 0.258 nan 8.300 nan 0.000 0.450 53 R N 1.267 121.785 120.500 0.031 0.000 2.459 53 R HA 0.879 5.220 4.340 0.002 0.000 0.281 53 R C -0.745 175.623 176.300 0.113 0.000 1.050 53 R CA -0.457 55.609 56.100 -0.056 0.000 1.055 53 R CB 1.365 31.375 30.300 -0.484 0.000 1.045 53 R HN 1.053 nan 8.270 nan 0.000 0.495 54 A N 2.173 125.159 122.820 0.278 0.000 2.586 54 A HA 0.342 4.663 4.320 0.002 0.000 0.291 54 A C -1.501 176.336 177.584 0.422 0.000 1.062 54 A CA -1.027 51.216 52.037 0.343 0.000 0.666 54 A CB 1.336 20.601 19.000 0.442 0.000 1.281 54 A HN 0.653 nan 8.150 nan 0.000 0.421 55 N N 0.560 119.447 118.700 0.311 0.000 2.495 55 N HA 0.701 5.443 4.740 0.002 0.000 0.280 55 N C -0.765 174.781 175.510 0.059 0.000 1.168 55 N CA -0.106 53.039 53.050 0.159 0.000 0.978 55 N CB 1.095 39.630 38.487 0.081 0.000 1.191 55 N HN 0.600 nan 8.380 nan 0.000 0.497 56 M N 0.812 120.348 119.600 -0.106 0.000 2.619 56 M HA 0.495 4.976 4.480 0.002 0.000 0.297 56 M C -2.380 173.677 176.300 -0.406 0.000 1.229 56 M CA -2.109 52.998 55.300 -0.322 0.000 0.860 56 M CB 1.596 34.027 32.600 -0.282 0.000 1.741 56 M HN 0.136 nan 8.290 nan 0.000 0.462 57 P HA 0.198 nan 4.420 nan 0.000 0.274 57 P C -1.954 175.161 177.300 -0.307 0.000 1.260 57 P CA -0.560 62.241 63.100 -0.498 0.000 0.793 57 P CB -0.030 31.271 31.700 -0.664 0.000 1.048 58 P HA 0.036 nan 4.420 nan 0.000 0.240 58 P C 0.616 177.761 177.300 -0.257 0.000 1.190 58 P CA 0.986 63.902 63.100 -0.307 0.000 0.781 58 P CB -0.064 31.370 31.700 -0.444 0.000 0.931 59 G N 0.824 109.474 108.800 -0.250 0.000 2.681 59 G HA2 -0.207 3.754 3.960 0.002 0.000 0.220 59 G HA3 -0.207 3.754 3.960 0.002 0.000 0.220 59 G C -1.966 172.758 174.900 -0.294 0.000 1.353 59 G CA -0.239 44.701 45.100 -0.267 0.000 0.872 59 G HN -0.041 nan 8.290 nan 0.000 0.557 60 P HA -0.236 nan 4.420 nan 0.000 0.234 60 P C 1.257 178.153 177.300 -0.674 0.000 1.128 60 P CA 3.064 65.781 63.100 -0.638 0.000 0.920 60 P CB -0.172 30.889 31.700 -1.064 0.000 0.726 61 F N -4.311 115.550 119.950 -0.149 0.000 2.729 61 F HA 0.120 4.648 4.527 0.002 0.000 0.304 61 F C 1.990 177.742 175.800 -0.081 0.000 1.008 61 F CA 0.113 58.046 58.000 -0.112 0.000 1.188 61 F CB -0.522 38.316 39.000 -0.270 0.000 0.980 61 F HN -0.353 nan 8.300 nan 0.000 0.627 62 V N -1.093 118.832 119.914 0.018 0.000 2.591 62 V HA -0.006 4.115 4.120 0.002 0.000 0.249 62 V C 0.895 176.988 176.094 -0.001 0.000 1.053 62 V CA 1.230 63.514 62.300 -0.026 0.000 1.068 62 V CB -0.123 31.566 31.823 -0.224 0.000 0.689 62 V HN 0.189 nan 8.190 nan 0.000 0.462 63 S N -0.512 115.163 115.700 -0.042 0.000 2.482 63 S HA 0.351 4.822 4.470 0.002 0.000 0.303 63 S C 0.822 175.411 174.600 -0.019 0.000 1.091 63 S CA 0.048 58.242 58.200 -0.009 0.000 1.057 63 S CB 1.870 65.042 63.200 -0.047 0.000 1.031 63 S HN 0.399 nan 8.310 nan 0.000 0.485 64 S N 3.016 118.720 115.700 0.005 0.000 2.540 64 S HA 0.288 4.759 4.470 0.002 0.000 0.218 64 S C 0.162 174.746 174.600 -0.026 0.000 0.977 64 S CA -0.365 57.838 58.200 0.004 0.000 0.918 64 S CB -0.389 62.829 63.200 0.029 0.000 0.806 64 S HN 0.641 nan 8.310 nan 0.000 0.496 65 N N 1.507 120.178 118.700 -0.048 0.000 2.793 65 N HA 0.302 5.043 4.740 0.002 0.000 0.251 65 N C -2.808 172.643 175.510 -0.099 0.000 1.308 65 N CA -1.373 51.630 53.050 -0.079 0.000 0.781 65 N CB 1.801 40.248 38.487 -0.067 0.000 1.439 65 N HN -0.029 nan 8.380 nan 0.000 0.562 66 P HA 0.087 nan 4.420 nan 0.000 0.255 66 P C -0.509 176.712 177.300 -0.132 0.000 1.248 66 P CA 0.173 63.197 63.100 -0.126 0.000 0.807 66 P CB 0.392 32.007 31.700 -0.142 0.000 1.150 67 K N 1.129 121.378 120.400 -0.252 0.000 2.322 67 K HA 0.365 4.686 4.320 0.002 0.000 0.283 67 K C 0.437 176.951 176.600 -0.143 0.000 1.042 67 K CA -0.262 55.748 56.287 -0.460 0.000 0.958 67 K CB 1.267 33.114 32.500 -1.088 0.000 0.984 67 K HN -0.038 nan 8.250 nan 0.000 0.473 68 V N -0.042 119.947 119.914 0.125 0.000 3.206 68 V HA 0.578 4.699 4.120 0.002 0.000 0.305 68 V C -1.077 175.171 176.094 0.256 0.000 1.257 68 V CA -1.183 61.230 62.300 0.188 0.000 1.057 68 V CB 1.678 33.615 31.823 0.190 0.000 1.075 68 V HN 0.632 nan 8.190 nan 0.000 0.443 69 I N 1.728 122.375 120.570 0.129 0.000 2.382 69 I HA 0.515 4.686 4.170 0.002 0.000 0.286 69 I C -0.458 175.618 176.117 -0.069 0.000 1.002 69 I CA -0.933 60.372 61.300 0.009 0.000 1.135 69 I CB 1.848 39.816 38.000 -0.054 0.000 1.288 69 I HN 0.496 nan 8.210 nan 0.000 0.448 70 V N 7.491 127.295 119.914 -0.184 0.000 2.498 70 V HA 0.337 4.458 4.120 0.002 0.000 0.279 70 V C 0.148 175.910 176.094 -0.553 0.000 1.048 70 V CA -0.378 61.720 62.300 -0.337 0.000 0.967 70 V CB 1.317 32.847 31.823 -0.487 0.000 0.988 70 V HN 0.458 nan 8.190 nan 0.000 0.473 71 L N 5.987 126.910 121.223 -0.501 0.000 2.333 71 L HA 0.516 4.857 4.340 0.002 0.000 0.280 71 L C 0.194 176.918 176.870 -0.244 0.000 1.004 71 L CA -0.298 54.324 54.840 -0.365 0.000 0.820 71 L CB 1.658 43.516 42.059 -0.335 0.000 1.247 71 L HN 0.557 nan 8.230 nan 0.000 0.416 72 L N 1.642 122.801 121.223 -0.106 0.000 3.086 72 L HA 0.213 4.554 4.340 0.002 0.000 0.274 72 L C 0.018 177.005 176.870 0.194 0.000 1.184 72 L CA -0.075 54.815 54.840 0.084 0.000 1.002 72 L CB 0.445 42.616 42.059 0.187 0.000 1.383 72 L HN 0.672 nan 8.230 nan 0.000 0.582 73 D N -0.276 120.207 120.400 0.139 0.000 2.350 73 D HA 0.298 4.939 4.640 0.002 0.000 0.238 73 D C 0.713 177.118 176.300 0.176 0.000 0.989 73 D CA -0.258 53.827 54.000 0.142 0.000 0.921 73 D CB 2.540 43.361 40.800 0.035 0.000 1.297 73 D HN -0.112 nan 8.370 nan 0.000 0.490 74 A N 0.839 123.782 122.820 0.205 0.000 2.070 74 A HA -0.168 4.154 4.320 0.002 0.000 0.220 74 A C 1.972 179.751 177.584 0.324 0.000 1.159 74 A CA 1.355 53.612 52.037 0.366 0.000 0.656 74 A CB -0.404 18.692 19.000 0.159 0.000 0.800 74 A HN 0.472 nan 8.150 nan 0.000 0.453 75 K N 0.431 120.820 120.400 -0.018 0.000 2.137 75 K HA -0.030 4.291 4.320 0.002 0.000 0.202 75 K C 2.187 178.782 176.600 -0.009 0.000 1.052 75 K CA 1.604 57.861 56.287 -0.050 0.000 0.961 75 K CB -0.175 32.134 32.500 -0.318 0.000 0.741 75 K HN 0.546 nan 8.250 nan 0.000 0.452 76 S N -0.994 114.693 115.700 -0.023 0.000 2.456 76 S HA 0.012 4.483 4.470 0.002 0.000 0.224 76 S C 1.958 176.489 174.600 -0.115 0.000 1.035 76 S CA -0.106 58.068 58.200 -0.044 0.000 0.940 76 S CB -0.643 62.529 63.200 -0.046 0.000 0.799 76 S HN 0.238 nan 8.310 nan 0.000 0.508 77 F N 3.965 123.776 119.950 -0.232 0.000 2.063 77 F HA -0.018 4.510 4.527 0.002 0.000 0.298 77 F C -1.057 174.274 175.800 -0.781 0.000 1.109 77 F CA 1.677 59.420 58.000 -0.429 0.000 1.212 77 F CB -1.340 37.480 39.000 -0.300 0.000 0.973 77 F HN 0.192 nan 8.300 nan 0.000 0.480 78 P HA -0.261 nan 4.420 nan 0.000 0.218 78 P C 1.783 178.651 177.300 -0.719 0.000 1.147 78 P CA 1.582 64.196 63.100 -0.810 0.000 0.827 78 P CB -0.246 31.301 31.700 -0.256 0.000 0.778 79 I N -1.009 119.247 120.570 -0.524 0.000 2.399 79 I HA -0.218 3.953 4.170 0.002 0.000 0.254 79 I C 1.715 177.552 176.117 -0.467 0.000 1.146 79 I CA 1.471 62.520 61.300 -0.418 0.000 1.412 79 I CB -0.736 37.087 38.000 -0.295 0.000 1.076 79 I HN -0.118 nan 8.210 nan 0.000 0.432 80 L N -0.889 119.897 121.223 -0.728 0.000 2.456 80 L HA -0.147 4.195 4.340 0.002 0.000 0.224 80 L C 1.760 178.413 176.870 -0.362 0.000 1.148 80 L CA 0.583 55.045 54.840 -0.631 0.000 0.825 80 L CB -0.609 40.869 42.059 -0.969 0.000 0.937 80 L HN 0.185 nan 8.230 nan 0.000 0.450 81 F N -1.419 118.375 119.950 -0.262 0.000 2.446 81 F HA 0.057 4.586 4.527 0.002 0.000 0.292 81 F C 1.316 177.022 175.800 -0.156 0.000 1.096 81 F CA -0.653 57.232 58.000 -0.193 0.000 1.438 81 F CB -0.586 38.285 39.000 -0.216 0.000 1.107 81 F HN -0.084 nan 8.300 nan 0.000 0.546 82 D N 1.846 122.228 120.400 -0.029 0.000 2.422 82 D HA 0.011 4.653 4.640 0.002 0.000 0.263 82 D C 1.433 177.681 176.300 -0.086 0.000 1.334 82 D CA 0.206 54.157 54.000 -0.083 0.000 1.105 82 D CB 0.542 41.233 40.800 -0.182 0.000 1.107 82 D HN 0.129 nan 8.370 nan 0.000 0.522 83 V N 1.725 121.612 119.914 -0.044 0.000 3.383 83 V HA -0.143 3.979 4.120 0.002 0.000 0.272 83 V C 1.957 178.022 176.094 -0.048 0.000 1.181 83 V CA 1.363 63.637 62.300 -0.044 0.000 1.171 83 V CB -0.862 30.938 31.823 -0.038 0.000 0.800 83 V HN 0.465 nan 8.190 nan 0.000 0.515 84 S N -0.012 115.650 115.700 -0.063 0.000 2.470 84 S HA 0.045 4.517 4.470 0.002 0.000 0.225 84 S C 1.800 176.361 174.600 -0.065 0.000 1.006 84 S CA 0.736 58.903 58.200 -0.056 0.000 0.934 84 S CB -0.158 63.006 63.200 -0.060 0.000 0.778 84 S HN 0.693 nan 8.310 nan 0.000 0.517 85 K N 0.648 120.974 120.400 -0.123 0.000 2.365 85 K HA 0.275 4.596 4.320 0.002 0.000 0.195 85 K C 0.113 176.724 176.600 0.019 0.000 1.079 85 K CA 0.477 56.679 56.287 -0.143 0.000 0.979 85 K CB 1.253 33.384 32.500 -0.614 0.000 0.929 85 K HN 0.438 nan 8.250 nan 0.000 0.523 86 V N -0.184 119.715 119.914 -0.025 0.000 2.555 86 V HA 0.405 4.526 4.120 0.002 0.000 0.302 86 V C -0.599 175.504 176.094 0.016 0.000 1.038 86 V CA -1.027 61.294 62.300 0.034 0.000 0.887 86 V CB 1.833 33.655 31.823 -0.001 0.000 0.991 86 V HN 0.082 nan 8.190 nan 0.000 0.434 87 E N 3.047 123.267 120.200 0.033 0.000 2.313 87 E HA 0.394 4.746 4.350 0.002 0.000 0.272 87 E C -0.486 176.124 176.600 0.017 0.000 1.038 87 E CA -0.748 55.660 56.400 0.014 0.000 0.863 87 E CB 0.991 30.703 29.700 0.019 0.000 1.060 87 E HN 0.695 nan 8.360 nan 0.000 0.402 88 K N 3.741 124.141 120.400 -0.001 0.000 3.237 88 K HA 0.177 4.498 4.320 0.002 0.000 0.197 88 K C -0.790 175.821 176.600 0.018 0.000 1.133 88 K CA -0.240 56.057 56.287 0.017 0.000 0.944 88 K CB 0.624 33.124 32.500 0.000 0.000 0.952 88 K HN 0.327 nan 8.250 nan 0.000 0.515 89 K N 1.555 121.970 120.400 0.026 0.000 2.185 89 K HA 0.092 4.413 4.320 0.002 0.000 0.269 89 K C -0.484 176.153 176.600 0.062 0.000 0.987 89 K CA -0.134 56.174 56.287 0.035 0.000 0.865 89 K CB 0.723 33.231 32.500 0.014 0.000 1.090 89 K HN 0.162 nan 8.250 nan 0.000 0.450 90 D N 2.899 123.369 120.400 0.117 0.000 2.860 90 D HA -0.176 4.465 4.640 0.002 0.000 0.229 90 D C 0.294 176.677 176.300 0.139 0.000 1.169 90 D CA 1.168 55.259 54.000 0.153 0.000 0.737 90 D CB -0.873 39.932 40.800 0.009 0.000 1.080 90 D HN 0.463 nan 8.370 nan 0.000 0.424 91 L N -4.169 117.137 121.223 0.138 0.000 3.122 91 L HA 0.373 4.715 4.340 0.002 0.000 0.274 91 L C 1.380 178.285 176.870 0.058 0.000 1.222 91 L CA -0.539 54.314 54.840 0.021 0.000 1.028 91 L CB -0.610 41.449 42.059 0.001 0.000 1.386 91 L HN -0.126 nan 8.230 nan 0.000 0.578 92 F N 2.261 122.183 119.950 -0.047 0.000 2.154 92 F HA -0.180 4.348 4.527 0.002 0.000 0.301 92 F C 1.981 177.751 175.800 -0.051 0.000 1.087 92 F CA 2.149 60.059 58.000 -0.151 0.000 1.274 92 F CB -0.164 38.440 39.000 -0.660 0.000 1.009 92 F HN 0.383 nan 8.300 nan 0.000 0.485 93 T N -1.950 112.522 114.554 -0.136 0.000 3.176 93 T HA 0.599 4.950 4.350 0.002 0.000 0.263 93 T C 0.820 175.280 174.700 -0.400 0.000 1.021 93 T CA 0.222 62.153 62.100 -0.282 0.000 0.905 93 T CB -0.350 68.325 68.868 -0.322 0.000 1.057 93 T HN 0.750 nan 8.240 nan 0.000 0.558 94 G N 2.053 110.468 108.800 -0.641 0.000 2.464 94 G HA2 -0.209 3.752 3.960 0.002 0.000 0.216 94 G HA3 -0.209 3.752 3.960 0.002 0.000 0.216 94 G C 0.642 175.110 174.900 -0.719 0.000 1.186 94 G CA 0.218 44.521 45.100 -1.328 0.000 1.010 94 G HN 0.984 nan 8.290 nan 0.000 0.585 95 T N -0.927 113.368 114.554 -0.432 0.000 3.439 95 T HA 0.492 4.843 4.350 0.002 0.000 0.251 95 T C 0.255 174.972 174.700 0.029 0.000 1.108 95 T CA 1.615 63.627 62.100 -0.147 0.000 0.982 95 T CB -0.855 67.964 68.868 -0.082 0.000 1.024 95 T HN 2.004 nan 8.240 nan 0.000 0.573 96 Y N -1.753 118.458 120.300 -0.149 0.000 2.677 96 Y HA 0.672 5.223 4.550 0.002 0.000 0.334 96 Y C -1.464 174.411 175.900 -0.043 0.000 1.196 96 Y CA -2.062 55.991 58.100 -0.079 0.000 1.059 96 Y CB 1.499 39.920 38.460 -0.065 0.000 1.315 96 Y HN 0.099 nan 8.280 nan 0.000 0.455 97 M N 4.004 123.491 119.600 -0.189 0.000 2.327 97 M HA 0.640 5.121 4.480 0.002 0.000 0.298 97 M C -3.033 173.176 176.300 -0.153 0.000 1.065 97 M CA -1.879 53.218 55.300 -0.337 0.000 0.916 97 M CB 2.459 34.887 32.600 -0.287 0.000 1.630 97 M HN 0.554 nan 8.290 nan 0.000 0.442 98 P HA 0.065 nan 4.420 nan 0.000 0.269 98 P C -0.972 176.308 177.300 -0.034 0.000 1.215 98 P CA -0.152 62.990 63.100 0.068 0.000 0.780 98 P CB 0.684 32.453 31.700 0.115 0.000 0.898 99 S N 0.348 116.072 115.700 0.041 0.000 2.549 99 S HA 0.031 4.503 4.470 0.002 0.000 0.286 99 S C 1.392 175.968 174.600 -0.039 0.000 1.314 99 S CA 0.257 58.458 58.200 0.003 0.000 1.062 99 S CB -0.335 62.895 63.200 0.049 0.000 0.865 99 S HN 0.599 nan 8.310 nan 0.000 0.498 100 T N 2.667 117.169 114.554 -0.086 0.000 3.098 100 T HA 0.048 4.399 4.350 0.002 0.000 0.266 100 T C 1.358 176.005 174.700 -0.088 0.000 1.145 100 T CA 0.381 62.418 62.100 -0.105 0.000 1.092 100 T CB -0.118 68.668 68.868 -0.137 0.000 0.908 100 T HN 0.529 nan 8.240 nan 0.000 0.526 101 K N 1.296 121.661 120.400 -0.058 0.000 2.283 101 K HA 0.192 4.513 4.320 0.002 0.000 0.202 101 K C 1.863 178.417 176.600 -0.076 0.000 1.048 101 K CA 0.530 56.777 56.287 -0.067 0.000 0.948 101 K CB -0.488 32.004 32.500 -0.014 0.000 0.742 101 K HN 0.449 nan 8.250 nan 0.000 0.458 102 L N 1.116 122.340 121.223 0.003 0.000 2.599 102 L HA -0.015 4.326 4.340 0.002 0.000 0.230 102 L C 1.022 177.973 176.870 0.134 0.000 1.141 102 L CA 0.845 55.746 54.840 0.103 0.000 0.877 102 L CB -0.264 41.921 42.059 0.210 0.000 1.009 102 L HN 0.144 nan 8.230 nan 0.000 0.447 103 T N -4.643 109.926 114.554 0.025 0.000 3.487 103 T HA 0.412 4.764 4.350 0.002 0.000 0.287 103 T C 1.034 175.681 174.700 -0.089 0.000 1.004 103 T CA 0.141 62.322 62.100 0.134 0.000 0.977 103 T CB 0.766 69.769 68.868 0.225 0.000 1.180 103 T HN 0.266 nan 8.240 nan 0.000 0.490 104 G N 0.514 109.114 108.800 -0.333 0.000 2.162 104 G HA2 0.096 4.057 3.960 0.002 0.000 0.260 104 G HA3 0.096 4.057 3.960 0.002 0.000 0.260 104 G C 1.159 175.779 174.900 -0.467 0.000 0.976 104 G CA 0.449 45.176 45.100 -0.620 0.000 0.655 104 G HN 1.961 nan 8.290 nan 0.000 0.533 105 G N -2.526 106.069 108.800 -0.341 0.000 2.175 105 G HA2 -0.194 3.767 3.960 0.002 0.000 0.244 105 G HA3 -0.194 3.767 3.960 0.002 0.000 0.244 105 G C 0.244 174.861 174.900 -0.472 0.000 0.982 105 G CA 0.788 45.649 45.100 -0.399 0.000 0.641 105 G HN 1.328 nan 8.290 nan 0.000 0.527 106 Y N -0.130 120.074 120.300 -0.159 0.000 2.496 106 Y HA 0.732 5.283 4.550 0.002 0.000 0.331 106 Y C 1.105 176.930 175.900 -0.124 0.000 1.140 106 Y CA -1.026 57.006 58.100 -0.113 0.000 1.166 106 Y CB 1.020 39.431 38.460 -0.081 0.000 1.249 106 Y HN 0.001 nan 8.280 nan 0.000 0.479 107 R N 1.825 122.371 120.500 0.077 0.000 2.233 107 R HA 0.400 4.741 4.340 0.002 0.000 0.334 107 R C -0.738 175.560 176.300 -0.003 0.000 1.037 107 R CA -0.606 55.476 56.100 -0.030 0.000 0.920 107 R CB 0.475 30.755 30.300 -0.034 0.000 1.137 107 R HN 0.561 nan 8.270 nan 0.000 0.492 108 V N 1.503 121.378 119.914 -0.066 0.000 3.185 108 V HA 0.033 4.155 4.120 0.002 0.000 0.305 108 V C 1.690 177.668 176.094 -0.194 0.000 1.090 108 V CA -0.581 61.613 62.300 -0.177 0.000 1.107 108 V CB 0.495 32.058 31.823 -0.433 0.000 1.061 108 V HN 0.682 nan 8.190 nan 0.000 0.480 109 L N 2.875 123.970 121.223 -0.214 0.000 2.030 109 L HA -0.216 4.125 4.340 0.002 0.000 0.222 109 L C 2.564 179.294 176.870 -0.233 0.000 1.082 109 L CA 2.837 57.567 54.840 -0.182 0.000 0.785 109 L CB -1.137 40.805 42.059 -0.194 0.000 0.895 109 L HN 0.955 nan 8.230 nan 0.000 0.439 110 S N -1.757 113.648 115.700 -0.491 0.000 2.440 110 S HA -0.199 4.272 4.470 0.002 0.000 0.240 110 S C 1.445 175.621 174.600 -0.706 0.000 1.014 110 S CA 1.514 59.242 58.200 -0.787 0.000 0.980 110 S CB -0.514 61.694 63.200 -1.653 0.000 0.775 110 S HN 0.628 nan 8.310 nan 0.000 0.499 111 Y N 0.575 120.691 120.300 -0.308 0.000 2.457 111 Y HA 0.379 4.930 4.550 0.002 0.000 0.263 111 Y C 0.477 176.325 175.900 -0.087 0.000 1.164 111 Y CA -0.340 57.672 58.100 -0.147 0.000 1.274 111 Y CB -0.063 38.299 38.460 -0.163 0.000 1.097 111 Y HN 0.107 nan 8.280 nan 0.000 0.523 112 L N 0.717 121.960 121.223 0.032 0.000 2.326 112 L HA 0.250 4.591 4.340 0.002 0.000 0.278 112 L C -0.144 176.696 176.870 -0.051 0.000 1.092 112 L CA -0.537 54.320 54.840 0.028 0.000 0.810 112 L CB 0.854 42.953 42.059 0.067 0.000 1.153 112 L HN 0.034 nan 8.230 nan 0.000 0.439 113 D N 3.131 123.487 120.400 -0.072 0.000 2.313 113 D HA 0.175 4.817 4.640 0.002 0.000 0.247 113 D C -1.738 174.401 176.300 -0.269 0.000 1.094 113 D CA -1.438 52.474 54.000 -0.148 0.000 0.925 113 D CB 1.579 42.335 40.800 -0.072 0.000 1.188 113 D HN 0.235 nan 8.370 nan 0.000 0.430 114 P HA -0.134 nan 4.420 nan 0.000 0.221 114 P C 0.834 178.075 177.300 -0.099 0.000 1.145 114 P CA 0.964 63.816 63.100 -0.415 0.000 0.795 114 P CB 0.017 31.537 31.700 -0.299 0.000 0.775 115 S N -1.752 113.905 115.700 -0.073 0.000 2.595 115 S HA -0.054 4.418 4.470 0.002 0.000 0.235 115 S C 0.615 175.215 174.600 -0.000 0.000 0.974 115 S CA 0.312 58.499 58.200 -0.021 0.000 0.942 115 S CB -0.869 62.319 63.200 -0.020 0.000 0.766 115 S HN 0.211 nan 8.310 nan 0.000 0.536 116 E N 1.946 122.149 120.200 0.006 0.000 2.174 116 E HA 0.243 4.594 4.350 0.002 0.000 0.282 116 E C -1.966 174.670 176.600 0.059 0.000 0.992 116 E CA -2.524 53.894 56.400 0.030 0.000 0.803 116 E CB 1.278 30.997 29.700 0.031 0.000 1.090 116 E HN 0.106 nan 8.360 nan 0.000 0.396 117 P HA -0.210 nan 4.420 nan 0.000 0.216 117 P C 1.195 178.511 177.300 0.027 0.000 1.154 117 P CA 1.019 64.138 63.100 0.031 0.000 0.865 117 P CB 0.271 31.980 31.700 0.016 0.000 0.789 118 R N -1.318 119.195 120.500 0.022 0.000 2.159 118 R HA -0.176 4.166 4.340 0.002 0.000 0.237 118 R C 2.310 178.605 176.300 -0.009 0.000 1.131 118 R CA 1.156 57.254 56.100 -0.003 0.000 0.982 118 R CB -1.541 28.756 30.300 -0.004 0.000 0.868 118 R HN 0.487 nan 8.270 nan 0.000 0.453 119 H N 0.272 119.311 119.070 -0.052 0.000 2.319 119 H HA -0.093 4.464 4.556 0.002 0.000 0.299 119 H C 1.614 176.897 175.328 -0.074 0.000 1.092 119 H CA 1.907 57.914 56.048 -0.067 0.000 1.302 119 H CB 0.255 29.988 29.762 -0.048 0.000 1.373 119 H HN 0.170 nan 8.280 nan 0.000 0.497 120 A N 1.122 123.890 122.820 -0.087 0.000 1.877 120 A HA -0.187 4.135 4.320 0.002 0.000 0.216 120 A C 2.492 179.990 177.584 -0.144 0.000 1.186 120 A CA 1.578 53.543 52.037 -0.120 0.000 0.620 120 A CB -0.584 18.424 19.000 0.013 0.000 0.822 120 A HN 0.620 nan 8.150 nan 0.000 0.443 121 Q N -0.306 119.435 119.800 -0.099 0.000 2.030 121 Q HA -0.136 4.205 4.340 0.002 0.000 0.204 121 Q C 2.143 178.058 176.000 -0.142 0.000 0.986 121 Q CA 1.619 57.364 55.803 -0.096 0.000 0.843 121 Q CB -0.416 28.279 28.738 -0.072 0.000 0.904 121 Q HN 0.654 nan 8.270 nan 0.000 0.420 122 L N 0.576 121.696 121.223 -0.171 0.000 2.093 122 L HA -0.181 4.160 4.340 0.002 0.000 0.208 122 L C 2.567 179.268 176.870 -0.282 0.000 1.085 122 L CA 1.126 55.848 54.840 -0.196 0.000 0.755 122 L CB -0.334 41.618 42.059 -0.178 0.000 0.904 122 L HN 0.180 nan 8.230 nan 0.000 0.435 123 K N 0.556 120.711 120.400 -0.409 0.000 2.057 123 K HA -0.151 4.170 4.320 0.002 0.000 0.206 123 K C 1.801 177.993 176.600 -0.679 0.000 1.050 123 K CA 1.547 57.456 56.287 -0.630 0.000 0.935 123 K CB -0.016 32.017 32.500 -0.778 0.000 0.715 123 K HN 0.326 nan 8.250 nan 0.000 0.439 124 N N 0.352 118.853 118.700 -0.331 0.000 2.166 124 N HA -0.175 4.566 4.740 0.002 0.000 0.186 124 N C 1.633 177.139 175.510 -0.007 0.000 1.019 124 N CA 0.768 53.791 53.050 -0.044 0.000 0.856 124 N CB -0.052 38.455 38.487 0.033 0.000 0.993 124 N HN 0.071 nan 8.380 nan 0.000 0.426 125 L N 1.247 122.417 121.223 -0.089 0.000 2.046 125 L HA -0.088 4.253 4.340 0.002 0.000 0.208 125 L C 1.675 178.555 176.870 0.018 0.000 1.077 125 L CA 1.476 56.298 54.840 -0.029 0.000 0.747 125 L CB -0.406 41.600 42.059 -0.088 0.000 0.896 125 L HN 0.217 nan 8.230 nan 0.000 0.432 126 L N -2.136 119.011 121.223 -0.127 0.000 2.156 126 L HA -0.139 4.202 4.340 0.002 0.000 0.208 126 L C 2.383 179.248 176.870 -0.008 0.000 1.095 126 L CA 0.563 55.324 54.840 -0.133 0.000 0.770 126 L CB -0.614 41.303 42.059 -0.238 0.000 0.914 126 L HN 0.183 nan 8.230 nan 0.000 0.439 127 F N -0.268 119.688 119.950 0.010 0.000 2.216 127 F HA -0.233 4.295 4.527 0.002 0.000 0.300 127 F C 2.361 178.186 175.800 0.042 0.000 1.085 127 F CA 0.892 58.905 58.000 0.022 0.000 1.326 127 F CB -1.001 38.018 39.000 0.033 0.000 1.027 127 F HN -0.005 nan 8.300 nan 0.000 0.497 128 F N 0.395 120.427 119.950 0.136 0.000 2.075 128 F HA -0.242 4.287 4.527 0.002 0.000 0.297 128 F C 2.635 178.454 175.800 0.031 0.000 1.113 128 F CA 1.822 59.862 58.000 0.067 0.000 1.218 128 F CB -0.613 38.403 39.000 0.027 0.000 0.984 128 F HN -0.032 nan 8.300 nan 0.000 0.472 129 M N -0.069 119.531 119.600 -0.000 0.000 2.144 129 M HA -0.239 4.243 4.480 0.002 0.000 0.260 129 M C 1.840 178.017 176.300 -0.206 0.000 1.067 129 M CA 1.878 57.089 55.300 -0.149 0.000 1.095 129 M CB -0.337 32.176 32.600 -0.145 0.000 1.365 129 M HN 0.353 nan 8.290 nan 0.000 0.406 130 L N -0.079 121.073 121.223 -0.118 0.000 2.007 130 L HA -0.191 4.150 4.340 0.002 0.000 0.205 130 L C 2.568 179.420 176.870 -0.030 0.000 1.073 130 L CA 1.357 56.167 54.840 -0.049 0.000 0.744 130 L CB -0.935 41.157 42.059 0.055 0.000 0.898 130 L HN 0.236 nan 8.230 nan 0.000 0.435 131 K N 1.109 121.481 120.400 -0.048 0.000 2.113 131 K HA -0.254 4.067 4.320 0.002 0.000 0.208 131 K C 1.605 178.111 176.600 -0.156 0.000 1.047 131 K CA 1.771 58.016 56.287 -0.069 0.000 0.928 131 K CB -0.481 31.982 32.500 -0.061 0.000 0.716 131 K HN 0.103 nan 8.250 nan 0.000 0.446 132 N N -0.532 117.960 118.700 -0.347 0.000 2.575 132 N HA -0.041 4.701 4.740 0.002 0.000 0.192 132 N C 0.106 175.503 175.510 -0.188 0.000 1.200 132 N CA 0.769 53.583 53.050 -0.395 0.000 0.897 132 N CB 0.092 38.061 38.487 -0.864 0.000 0.990 132 N HN 0.388 nan 8.380 nan 0.000 0.449 133 S N -3.072 112.571 115.700 -0.096 0.000 2.728 133 S HA 0.047 4.518 4.470 0.002 0.000 0.257 133 S C 1.564 176.188 174.600 0.040 0.000 1.060 133 S CA 0.151 58.335 58.200 -0.027 0.000 1.126 133 S CB -0.540 62.650 63.200 -0.017 0.000 1.099 133 S HN 0.198 nan 8.310 nan 0.000 0.617 134 S N 3.202 118.931 115.700 0.048 0.000 2.428 134 S HA -0.245 4.227 4.470 0.002 0.000 0.240 134 S C 1.307 175.948 174.600 0.068 0.000 1.036 134 S CA 1.789 60.038 58.200 0.081 0.000 1.009 134 S CB -1.103 62.130 63.200 0.054 0.000 0.803 134 S HN 0.765 nan 8.310 nan 0.000 0.486 135 N N 0.316 119.043 118.700 0.045 0.000 2.412 135 N HA 0.186 4.928 4.740 0.002 0.000 0.184 135 N C 1.843 177.388 175.510 0.059 0.000 1.101 135 N CA 0.018 53.095 53.050 0.045 0.000 0.881 135 N CB 0.091 38.596 38.487 0.030 0.000 0.969 135 N HN 0.376 nan 8.380 nan 0.000 0.459 136 R N 0.176 120.716 120.500 0.066 0.000 2.237 136 R HA 0.120 4.462 4.340 0.002 0.000 0.195 136 R C 1.793 178.182 176.300 0.149 0.000 0.956 136 R CA 0.130 56.278 56.100 0.080 0.000 1.029 136 R CB 0.137 30.458 30.300 0.036 0.000 0.972 136 R HN 0.023 nan 8.270 nan 0.000 0.493 137 V N 1.946 121.967 119.914 0.179 0.000 2.220 137 V HA -0.338 3.783 4.120 0.002 0.000 0.250 137 V C 2.291 178.561 176.094 0.294 0.000 1.056 137 V CA 2.094 64.571 62.300 0.295 0.000 1.016 137 V CB -0.403 31.550 31.823 0.215 0.000 0.639 137 V HN 0.254 nan 8.190 nan 0.000 0.446 138 I N -0.170 120.486 120.570 0.143 0.000 2.179 138 I HA -0.144 4.027 4.170 0.002 0.000 0.242 138 I C -0.078 176.141 176.117 0.172 0.000 1.088 138 I CA 1.606 62.969 61.300 0.104 0.000 1.357 138 I CB -1.634 36.387 38.000 0.035 0.000 1.051 138 I HN 0.381 nan 8.210 nan 0.000 0.409 139 P HA -0.160 nan 4.420 nan 0.000 0.213 139 P C 1.517 178.928 177.300 0.185 0.000 1.170 139 P CA 1.231 64.414 63.100 0.138 0.000 0.893 139 P CB -0.069 31.692 31.700 0.102 0.000 0.784 140 Q N -1.530 118.408 119.800 0.230 0.000 2.181 140 Q HA -0.164 4.178 4.340 0.002 0.000 0.205 140 Q C 2.091 178.328 176.000 0.394 0.000 0.980 140 Q CA 1.328 57.298 55.803 0.277 0.000 0.862 140 Q CB -1.288 27.606 28.738 0.260 0.000 0.905 140 Q HN 0.310 nan 8.270 nan 0.000 0.429 141 F N 1.856 121.977 119.950 0.284 0.000 2.102 141 F HA -0.174 4.354 4.527 0.002 0.000 0.298 141 F C 2.138 177.994 175.800 0.093 0.000 1.105 141 F CA 1.445 59.456 58.000 0.017 0.000 1.239 141 F CB 0.108 38.923 39.000 -0.308 0.000 0.991 141 F HN 0.096 nan 8.300 nan 0.000 0.474 142 E N -0.508 119.847 120.200 0.258 0.000 2.038 142 E HA -0.208 4.143 4.350 0.002 0.000 0.195 142 E C 2.120 178.777 176.600 0.096 0.000 1.000 142 E CA 2.025 58.533 56.400 0.179 0.000 0.803 142 E CB -0.509 29.283 29.700 0.153 0.000 0.750 142 E HN 0.400 nan 8.360 nan 0.000 0.448 143 T N 0.843 115.452 114.554 0.092 0.000 2.622 143 T HA -0.166 4.185 4.350 0.002 0.000 0.266 143 T C 2.087 176.788 174.700 0.003 0.000 1.047 143 T CA 2.031 64.162 62.100 0.053 0.000 1.159 143 T CB -0.643 68.264 68.868 0.064 0.000 0.863 143 T HN 0.203 nan 8.240 nan 0.000 0.422 144 T N 0.963 115.521 114.554 0.007 0.000 2.684 144 T HA -0.127 4.224 4.350 0.002 0.000 0.267 144 T C 1.720 176.225 174.700 -0.323 0.000 1.036 144 T CA 1.438 63.479 62.100 -0.098 0.000 1.148 144 T CB -0.562 68.315 68.868 0.015 0.000 0.863 144 T HN 0.406 nan 8.240 nan 0.000 0.436 145 Y N 1.264 121.295 120.300 -0.448 0.000 2.457 145 Y HA 0.029 4.580 4.550 0.002 0.000 0.292 145 Y C 2.894 178.492 175.900 -0.505 0.000 1.125 145 Y CA 0.383 58.120 58.100 -0.606 0.000 1.254 145 Y CB -0.867 37.134 38.460 -0.765 0.000 1.012 145 Y HN 0.163 nan 8.280 nan 0.000 0.555 146 T N -0.247 114.272 114.554 -0.059 0.000 2.737 146 T HA -0.165 4.186 4.350 0.002 0.000 0.265 146 T C 1.653 176.349 174.700 -0.006 0.000 1.038 146 T CA 1.643 63.796 62.100 0.089 0.000 1.144 146 T CB -0.152 68.764 68.868 0.081 0.000 0.866 146 T HN 0.411 nan 8.240 nan 0.000 0.434 147 E N 0.768 120.916 120.200 -0.087 0.000 2.049 147 E HA -0.177 4.174 4.350 0.002 0.000 0.198 147 E C 2.171 178.687 176.600 -0.139 0.000 1.007 147 E CA 1.227 57.570 56.400 -0.096 0.000 0.809 147 E CB -0.378 29.249 29.700 -0.120 0.000 0.749 147 E HN 0.247 nan 8.360 nan 0.000 0.450 148 L N 0.581 121.623 121.223 -0.302 0.000 1.990 148 L HA -0.216 4.125 4.340 0.002 0.000 0.213 148 L C 2.114 178.888 176.870 -0.160 0.000 1.072 148 L CA 1.797 56.425 54.840 -0.352 0.000 0.755 148 L CB -0.530 41.130 42.059 -0.667 0.000 0.889 148 L HN 0.002 nan 8.230 nan 0.000 0.432 149 F N 0.603 120.569 119.950 0.027 0.000 2.095 149 F HA -0.192 4.336 4.527 0.001 0.000 0.298 149 F C 2.488 178.336 175.800 0.081 0.000 1.104 149 F CA 1.701 59.761 58.000 0.101 0.000 1.232 149 F CB -1.176 37.886 39.000 0.105 0.000 0.987 149 F HN 0.232 nan 8.300 nan 0.000 0.475 150 E N -0.046 120.284 120.200 0.217 0.000 2.033 150 E HA -0.208 4.143 4.350 0.002 0.000 0.199 150 E C 2.630 179.284 176.600 0.089 0.000 1.011 150 E CA 1.206 57.682 56.400 0.127 0.000 0.815 150 E CB -0.925 28.816 29.700 0.068 0.000 0.755 150 E HN 0.458 nan 8.360 nan 0.000 0.451 151 G N 1.445 110.272 108.800 0.044 0.000 2.505 151 G HA2 -0.277 3.684 3.960 0.002 0.000 0.220 151 G HA3 -0.277 3.684 3.960 0.002 0.000 0.220 151 G C 1.591 176.514 174.900 0.039 0.000 1.145 151 G CA 0.842 45.952 45.100 0.016 0.000 0.761 151 G HN 0.092 nan 8.290 nan 0.000 0.571 152 L N -0.104 121.166 121.223 0.078 0.000 2.093 152 L HA -0.014 4.328 4.340 0.002 0.000 0.208 152 L C 2.926 179.846 176.870 0.082 0.000 1.085 152 L CA 1.081 55.977 54.840 0.094 0.000 0.755 152 L CB -0.349 41.812 42.059 0.169 0.000 0.904 152 L HN 0.321 nan 8.230 nan 0.000 0.435 153 E N 0.176 120.441 120.200 0.108 0.000 2.077 153 E HA -0.218 4.133 4.350 0.002 0.000 0.193 153 E C 2.289 178.924 176.600 0.059 0.000 0.989 153 E CA 1.173 57.623 56.400 0.084 0.000 0.800 153 E CB -0.182 29.591 29.700 0.122 0.000 0.746 153 E HN 0.505 nan 8.360 nan 0.000 0.452 154 A N 1.673 124.525 122.820 0.054 0.000 1.835 154 A HA -0.265 4.056 4.320 0.002 0.000 0.215 154 A C 2.165 179.769 177.584 0.033 0.000 1.199 154 A CA 1.819 53.879 52.037 0.039 0.000 0.615 154 A CB -0.621 18.397 19.000 0.030 0.000 0.838 154 A HN 0.197 nan 8.150 nan 0.000 0.444 155 E N -0.164 120.054 120.200 0.030 0.000 2.114 155 E HA -0.231 4.120 4.350 0.002 0.000 0.199 155 E C 1.740 178.359 176.600 0.032 0.000 1.008 155 E CA 1.760 58.175 56.400 0.026 0.000 0.810 155 E CB -0.540 29.174 29.700 0.022 0.000 0.739 155 E HN 0.420 nan 8.360 nan 0.000 0.456 156 L N 0.217 121.462 121.223 0.037 0.000 2.017 156 L HA 0.019 4.360 4.340 0.002 0.000 0.208 156 L C 2.282 179.179 176.870 0.044 0.000 1.073 156 L CA 2.375 57.239 54.840 0.041 0.000 0.745 156 L CB -1.139 40.941 42.059 0.035 0.000 0.894 156 L HN 0.200 nan 8.230 nan 0.000 0.432 157 A N -0.894 121.952 122.820 0.044 0.000 2.019 157 A HA -0.253 4.068 4.320 0.002 0.000 0.219 157 A C 2.437 180.043 177.584 0.037 0.000 1.164 157 A CA 1.961 54.025 52.037 0.045 0.000 0.644 157 A CB -0.587 18.439 19.000 0.043 0.000 0.805 157 A HN 0.547 nan 8.150 nan 0.000 0.449 158 K N -1.436 118.984 120.400 0.032 0.000 2.211 158 K HA 0.031 4.352 4.320 0.002 0.000 0.201 158 K C 0.523 177.138 176.600 0.025 0.000 1.052 158 K CA 0.972 57.274 56.287 0.026 0.000 0.973 158 K CB 0.106 32.618 32.500 0.021 0.000 0.766 158 K HN 0.394 nan 8.250 nan 0.000 0.466 159 N N -0.873 117.843 118.700 0.028 0.000 2.160 159 N HA 0.093 4.834 4.740 0.002 0.000 0.226 159 N C 0.429 175.958 175.510 0.031 0.000 1.256 159 N CA 0.756 53.822 53.050 0.026 0.000 0.890 159 N CB 1.712 40.213 38.487 0.023 0.000 1.116 159 N HN 0.369 nan 8.380 nan 0.000 0.517 160 G N 1.265 110.088 108.800 0.039 0.000 2.284 160 G HA2 -0.306 3.655 3.960 0.002 0.000 0.261 160 G HA3 -0.306 3.655 3.960 0.002 0.000 0.261 160 G C 0.259 175.190 174.900 0.052 0.000 0.997 160 G CA 0.689 45.816 45.100 0.046 0.000 0.621 160 G HN 0.354 nan 8.290 nan 0.000 0.534 161 K N -0.464 119.963 120.400 0.045 0.000 2.512 161 K HA 0.741 5.062 4.320 0.002 0.000 0.263 161 K C -1.015 175.612 176.600 0.045 0.000 0.966 161 K CA -0.197 56.119 56.287 0.048 0.000 0.851 161 K CB 2.331 34.857 32.500 0.043 0.000 1.395 161 K HN 0.880 nan 8.250 nan 0.000 0.440 162 A N 1.247 124.098 122.820 0.053 0.000 2.476 162 A HA 0.669 4.991 4.320 0.002 0.000 0.280 162 A C -1.043 176.587 177.584 0.078 0.000 1.081 162 A CA -0.617 51.454 52.037 0.056 0.000 0.753 162 A CB 1.227 20.262 19.000 0.058 0.000 1.248 162 A HN 0.695 nan 8.150 nan 0.000 0.424 163 A N 1.479 124.337 122.820 0.064 0.000 2.488 163 A HA 0.503 4.824 4.320 0.002 0.000 0.249 163 A C 0.426 178.073 177.584 0.105 0.000 1.083 163 A CA 0.004 52.089 52.037 0.080 0.000 0.768 163 A CB -0.180 18.846 19.000 0.043 0.000 1.017 163 A HN 1.556 nan 8.150 nan 0.000 0.496 164 F N 2.737 122.694 119.950 0.011 0.000 2.274 164 F HA -0.025 4.503 4.527 0.002 0.000 0.288 164 F C 1.916 177.727 175.800 0.019 0.000 1.069 164 F CA 1.219 59.230 58.000 0.019 0.000 1.343 164 F CB -0.162 38.857 39.000 0.032 0.000 1.089 164 F HN 0.709 nan 8.300 nan 0.000 0.517 165 N N 1.252 119.980 118.700 0.047 0.000 2.055 165 N HA -0.289 4.452 4.740 0.002 0.000 0.200 165 N C 1.499 176.905 175.510 -0.174 0.000 1.037 165 N CA 2.290 55.316 53.050 -0.040 0.000 0.881 165 N CB -0.950 37.569 38.487 0.054 0.000 1.075 165 N HN 0.370 nan 8.380 nan 0.000 0.470 166 D N 0.677 121.014 120.400 -0.106 0.000 2.103 166 D HA -0.134 4.507 4.640 0.002 0.000 0.190 166 D C 2.144 178.352 176.300 -0.153 0.000 0.997 166 D CA 1.766 55.711 54.000 -0.090 0.000 0.833 166 D CB -0.399 40.370 40.800 -0.053 0.000 0.961 166 D HN 0.275 nan 8.370 nan 0.000 0.447 167 V N -0.709 119.075 119.914 -0.217 0.000 2.594 167 V HA -0.028 4.093 4.120 0.002 0.000 0.253 167 V C 2.312 178.174 176.094 -0.387 0.000 1.069 167 V CA 1.931 64.080 62.300 -0.253 0.000 1.082 167 V CB -1.299 30.389 31.823 -0.224 0.000 0.680 167 V HN 0.129 nan 8.190 nan 0.000 0.469 168 G N -0.289 108.134 108.800 -0.629 0.000 2.403 168 G HA2 -0.134 3.828 3.960 0.002 0.000 0.216 168 G HA3 -0.134 3.828 3.960 0.002 0.000 0.216 168 G C 1.438 176.168 174.900 -0.284 0.000 1.154 168 G CA 0.722 45.389 45.100 -0.722 0.000 0.784 168 G HN 0.574 nan 8.290 nan 0.000 0.538 169 E N 0.191 120.299 120.200 -0.153 0.000 2.072 169 E HA -0.137 4.214 4.350 0.002 0.000 0.191 169 E C 2.683 179.415 176.600 0.220 0.000 0.985 169 E CA 0.978 57.454 56.400 0.125 0.000 0.801 169 E CB -0.073 29.757 29.700 0.217 0.000 0.750 169 E HN 0.515 nan 8.360 nan 0.000 0.452 170 Q N 0.165 119.987 119.800 0.036 0.000 2.084 170 Q HA -0.173 4.168 4.340 0.002 0.000 0.202 170 Q C 2.234 178.235 176.000 0.002 0.000 0.978 170 Q CA 1.386 57.200 55.803 0.018 0.000 0.844 170 Q CB -0.194 28.506 28.738 -0.063 0.000 0.898 170 Q HN 0.230 nan 8.270 nan 0.000 0.426 171 A N 1.324 124.056 122.820 -0.146 0.000 1.877 171 A HA -0.160 4.161 4.320 0.002 0.000 0.216 171 A C 2.359 179.901 177.584 -0.070 0.000 1.186 171 A CA 1.668 53.526 52.037 -0.297 0.000 0.620 171 A CB -0.998 17.565 19.000 -0.728 0.000 0.822 171 A HN 0.406 nan 8.150 nan 0.000 0.443 172 A N -1.207 121.659 122.820 0.076 0.000 1.873 172 A HA -0.158 4.163 4.320 0.002 0.000 0.218 172 A C 2.092 179.922 177.584 0.410 0.000 1.193 172 A CA 1.899 54.124 52.037 0.313 0.000 0.629 172 A CB -0.832 18.308 19.000 0.233 0.000 0.826 172 A HN 0.655 nan 8.150 nan 0.000 0.447 173 F N 0.170 120.261 119.950 0.235 0.000 2.186 173 F HA -0.072 4.457 4.527 0.002 0.000 0.299 173 F C 2.379 178.215 175.800 0.060 0.000 1.090 173 F CA 1.731 59.805 58.000 0.124 0.000 1.307 173 F CB -0.227 38.725 39.000 -0.080 0.000 1.019 173 F HN 0.220 nan 8.300 nan 0.000 0.489 174 R N -0.703 119.836 120.500 0.066 0.000 2.075 174 R HA -0.215 4.126 4.340 0.002 0.000 0.232 174 R C 2.377 178.657 176.300 -0.034 0.000 1.126 174 R CA 1.800 57.879 56.100 -0.036 0.000 0.963 174 R CB -0.816 29.472 30.300 -0.021 0.000 0.858 174 R HN 0.355 nan 8.270 nan 0.000 0.435 175 F N 1.286 121.203 119.950 -0.056 0.000 2.134 175 F HA -0.147 4.381 4.527 0.001 0.000 0.299 175 F C 1.615 177.385 175.800 -0.050 0.000 1.097 175 F CA 1.426 59.425 58.000 -0.001 0.000 1.264 175 F CB -0.355 38.730 39.000 0.142 0.000 1.001 175 F HN -0.010 nan 8.300 nan 0.000 0.479 176 L N 0.037 120.956 121.223 -0.507 0.000 2.083 176 L HA -0.114 4.227 4.340 0.002 0.000 0.209 176 L C 2.808 179.366 176.870 -0.520 0.000 1.083 176 L CA 1.302 55.724 54.840 -0.697 0.000 0.752 176 L CB -1.610 40.307 42.059 -0.236 0.000 0.899 176 L HN 0.373 nan 8.230 nan 0.000 0.433 177 G N -0.261 108.346 108.800 -0.323 0.000 2.402 177 G HA2 -0.216 3.746 3.960 0.002 0.000 0.216 177 G HA3 -0.216 3.746 3.960 0.002 0.000 0.216 177 G C 1.757 176.615 174.900 -0.070 0.000 1.162 177 G CA 0.345 45.434 45.100 -0.019 0.000 0.777 177 G HN 0.263 nan 8.290 nan 0.000 0.539 178 R N 0.405 120.807 120.500 -0.163 0.000 2.066 178 R HA 0.073 4.414 4.340 0.002 0.000 0.232 178 R C 3.018 179.206 176.300 -0.187 0.000 1.131 178 R CA 1.202 57.235 56.100 -0.112 0.000 0.955 178 R CB -0.315 29.955 30.300 -0.050 0.000 0.851 178 R HN 0.358 nan 8.270 nan 0.000 0.432 179 A N 0.415 122.980 122.820 -0.425 0.000 1.832 179 A HA -0.141 4.181 4.320 0.002 0.000 0.214 179 A C 1.867 179.238 177.584 -0.355 0.000 1.204 179 A CA 1.032 52.828 52.037 -0.402 0.000 0.606 179 A CB -0.810 17.763 19.000 -0.712 0.000 0.849 179 A HN 0.233 nan 8.150 nan 0.000 0.445 180 Y N -0.895 119.033 120.300 -0.621 0.000 2.128 180 Y HA -0.152 4.399 4.550 0.002 0.000 0.284 180 Y C 1.481 176.838 175.900 -0.904 0.000 1.154 180 Y CA 1.371 58.894 58.100 -0.961 0.000 1.149 180 Y CB -0.607 36.848 38.460 -1.675 0.000 0.976 180 Y HN 0.373 nan 8.280 nan 0.000 0.505 181 F N -1.587 118.399 119.950 0.059 0.000 2.772 181 F HA 0.254 4.782 4.527 0.002 0.000 0.316 181 F C 0.583 176.370 175.800 -0.022 0.000 1.114 181 F CA -0.805 57.191 58.000 -0.006 0.000 1.191 181 F CB -0.979 37.987 39.000 -0.057 0.000 1.065 181 F HN -0.042 nan 8.300 nan 0.000 0.534 182 N N 1.644 120.376 118.700 0.052 0.000 2.705 182 N HA -0.231 4.510 4.740 0.002 0.000 0.255 182 N C -0.524 175.029 175.510 0.071 0.000 1.008 182 N CA 0.582 53.657 53.050 0.041 0.000 0.742 182 N CB -0.541 37.971 38.487 0.041 0.000 0.906 182 N HN 0.287 nan 8.380 nan 0.000 0.541 183 S N 0.637 116.393 115.700 0.092 0.000 2.540 183 S HA 0.349 4.820 4.470 0.002 0.000 0.275 183 S C -1.139 173.515 174.600 0.090 0.000 1.123 183 S CA -0.833 57.437 58.200 0.117 0.000 0.907 183 S CB 1.484 64.797 63.200 0.188 0.000 1.081 183 S HN 0.378 nan 8.310 nan 0.000 0.476 184 N N 4.170 122.906 118.700 0.058 0.000 2.527 184 N HA 0.349 5.090 4.740 0.002 0.000 0.236 184 N C -1.615 173.879 175.510 -0.027 0.000 0.999 184 N CA -2.155 50.898 53.050 0.004 0.000 0.935 184 N CB 1.583 40.067 38.487 -0.004 0.000 1.132 184 N HN 0.421 nan 8.380 nan 0.000 0.511 185 P HA -0.142 nan 4.420 nan 0.000 0.219 185 P C 0.484 177.662 177.300 -0.204 0.000 1.146 185 P CA 1.228 64.117 63.100 -0.352 0.000 0.808 185 P CB 0.559 31.977 31.700 -0.469 0.000 0.779 186 E N 0.104 120.240 120.200 -0.107 0.000 2.347 186 E HA -0.112 4.239 4.350 0.002 0.000 0.196 186 E C 1.181 177.742 176.600 -0.065 0.000 1.008 186 E CA 0.538 56.890 56.400 -0.079 0.000 0.852 186 E CB -0.216 29.450 29.700 -0.057 0.000 0.783 186 E HN 0.489 nan 8.360 nan 0.000 0.505 187 E N 0.734 120.903 120.200 -0.052 0.000 2.359 187 E HA 0.002 4.353 4.350 0.002 0.000 0.187 187 E C 0.176 176.759 176.600 -0.029 0.000 1.081 187 E CA 0.088 56.469 56.400 -0.031 0.000 0.929 187 E CB 0.364 30.056 29.700 -0.014 0.000 1.086 187 E HN 0.162 nan 8.360 nan 0.000 0.462 188 T N -4.073 110.448 114.554 -0.054 0.000 2.742 188 T HA 0.276 4.627 4.350 0.002 0.000 0.282 188 T C 0.895 175.556 174.700 -0.065 0.000 1.025 188 T CA -0.878 61.194 62.100 -0.046 0.000 1.020 188 T CB 1.385 70.231 68.868 -0.038 0.000 1.317 188 T HN -0.211 nan 8.240 nan 0.000 0.538 189 K N -0.411 119.956 120.400 -0.055 0.000 2.113 189 K HA -0.060 4.261 4.320 0.002 0.000 0.208 189 K C 1.962 178.511 176.600 -0.086 0.000 1.047 189 K CA 0.992 57.244 56.287 -0.058 0.000 0.928 189 K CB -0.573 31.900 32.500 -0.044 0.000 0.716 189 K HN 0.237 nan 8.250 nan 0.000 0.446 190 L N 0.365 121.511 121.223 -0.129 0.000 2.081 190 L HA -0.197 4.144 4.340 0.002 0.000 0.212 190 L C 1.604 178.390 176.870 -0.139 0.000 1.080 190 L CA 2.156 56.895 54.840 -0.169 0.000 0.754 190 L CB -1.381 40.513 42.059 -0.274 0.000 0.893 190 L HN 0.511 nan 8.230 nan 0.000 0.433 191 G N -0.947 107.784 108.800 -0.115 0.000 2.611 191 G HA2 -0.445 3.516 3.960 0.002 0.000 0.301 191 G HA3 -0.445 3.516 3.960 0.002 0.000 0.301 191 G C 0.737 175.581 174.900 -0.094 0.000 1.233 191 G CA 1.059 46.105 45.100 -0.089 0.000 0.993 191 G HN 0.489 nan 8.290 nan 0.000 0.553 192 T N -2.279 112.224 114.554 -0.085 0.000 3.134 192 T HA 0.484 4.835 4.350 0.002 0.000 0.260 192 T C 1.986 176.619 174.700 -0.112 0.000 1.027 192 T CA 1.217 63.266 62.100 -0.085 0.000 0.913 192 T CB 0.233 69.061 68.868 -0.068 0.000 1.046 192 T HN 1.631 nan 8.240 nan 0.000 0.553 193 S N 0.681 116.303 115.700 -0.131 0.000 2.562 193 S HA 0.354 4.826 4.470 0.002 0.000 0.221 193 S C 2.262 176.722 174.600 -0.232 0.000 0.975 193 S CA 0.221 58.334 58.200 -0.145 0.000 0.918 193 S CB -0.374 62.759 63.200 -0.112 0.000 0.772 193 S HN 0.588 nan 8.310 nan 0.000 0.531 194 A N 3.264 125.869 122.820 -0.358 0.000 1.892 194 A HA -0.004 4.317 4.320 0.002 0.000 0.218 194 A C 0.043 177.222 177.584 -0.676 0.000 1.188 194 A CA 1.721 53.360 52.037 -0.663 0.000 0.631 194 A CB -1.912 16.337 19.000 -1.251 0.000 0.822 194 A HN 0.536 nan 8.150 nan 0.000 0.447 195 P HA -0.077 nan 4.420 nan 0.000 0.219 195 P C 1.342 178.564 177.300 -0.131 0.000 1.146 195 P CA 1.704 64.588 63.100 -0.359 0.000 0.808 195 P CB -0.126 31.548 31.700 -0.043 0.000 0.779 196 T N -0.883 113.597 114.554 -0.122 0.000 2.894 196 T HA 0.022 4.373 4.350 0.002 0.000 0.258 196 T C 1.693 176.379 174.700 -0.024 0.000 1.043 196 T CA 0.853 62.929 62.100 -0.040 0.000 1.141 196 T CB -0.752 68.093 68.868 -0.039 0.000 0.873 196 T HN 0.049 nan 8.240 nan 0.000 0.449 197 L N 0.467 121.637 121.223 -0.088 0.000 2.046 197 L HA -0.010 4.331 4.340 0.002 0.000 0.208 197 L C 2.424 179.321 176.870 0.044 0.000 1.077 197 L CA 1.153 55.968 54.840 -0.043 0.000 0.747 197 L CB -0.654 41.333 42.059 -0.121 0.000 0.896 197 L HN 0.246 nan 8.230 nan 0.000 0.432 198 I N -0.668 119.878 120.570 -0.040 0.000 2.133 198 I HA -0.265 3.907 4.170 0.002 0.000 0.238 198 I C 2.680 178.950 176.117 0.256 0.000 1.074 198 I CA 1.261 62.634 61.300 0.122 0.000 1.342 198 I CB -0.344 37.580 38.000 -0.128 0.000 1.053 198 I HN 0.157 nan 8.210 nan 0.000 0.404 199 S N 0.254 116.061 115.700 0.178 0.000 2.374 199 S HA -0.250 4.221 4.470 0.002 0.000 0.227 199 S C 2.170 176.888 174.600 0.196 0.000 1.037 199 S CA 1.932 60.240 58.200 0.180 0.000 1.024 199 S CB -0.407 62.880 63.200 0.145 0.000 0.861 199 S HN 0.500 nan 8.310 nan 0.000 0.456 200 S N -0.012 115.812 115.700 0.207 0.000 2.356 200 S HA -0.177 4.295 4.470 0.002 0.000 0.223 200 S C 1.488 176.318 174.600 0.382 0.000 1.032 200 S CA 1.554 59.909 58.200 0.258 0.000 1.005 200 S CB -0.503 62.809 63.200 0.187 0.000 0.867 200 S HN 0.762 nan 8.310 nan 0.000 0.449 201 W N 1.847 123.251 121.300 0.174 0.000 2.388 201 W HA -0.008 4.653 4.660 0.002 0.000 0.294 201 W C 1.862 178.574 176.519 0.322 0.000 1.212 201 W CA 1.150 58.628 57.345 0.222 0.000 1.271 201 W CB -0.608 28.995 29.460 0.239 0.000 1.126 201 W HN 0.125 nan 8.180 nan 0.000 0.535 202 V N 1.313 121.309 119.914 0.136 0.000 2.515 202 V HA -0.264 3.857 4.120 0.002 0.000 0.250 202 V C 2.239 178.358 176.094 0.041 0.000 1.058 202 V CA 1.642 63.894 62.300 -0.081 0.000 1.064 202 V CB -1.204 30.565 31.823 -0.089 0.000 0.675 202 V HN 0.263 nan 8.190 nan 0.000 0.461 203 L N -0.183 121.126 121.223 0.144 0.000 2.012 203 L HA -0.135 4.206 4.340 0.002 0.000 0.210 203 L C 2.168 179.096 176.870 0.097 0.000 1.073 203 L CA 2.114 57.026 54.840 0.120 0.000 0.748 203 L CB -0.843 41.298 42.059 0.137 0.000 0.891 203 L HN 0.243 nan 8.230 nan 0.000 0.431 204 F N 0.210 120.170 119.950 0.017 0.000 2.216 204 F HA -0.197 4.332 4.527 0.002 0.000 0.300 204 F C 2.501 178.317 175.800 0.027 0.000 1.085 204 F CA 1.556 59.569 58.000 0.021 0.000 1.326 204 F CB -0.730 38.293 39.000 0.039 0.000 1.027 204 F HN 0.284 nan 8.300 nan 0.000 0.497 205 N N 0.083 118.870 118.700 0.144 0.000 2.109 205 N HA -0.045 4.697 4.740 0.002 0.000 0.188 205 N C 1.754 177.423 175.510 0.265 0.000 1.034 205 N CA 1.199 54.345 53.050 0.160 0.000 0.846 205 N CB -0.265 38.283 38.487 0.101 0.000 1.010 205 N HN 0.269 nan 8.380 nan 0.000 0.425 206 L N 0.665 122.025 121.223 0.228 0.000 2.607 206 L HA 0.250 4.591 4.340 0.002 0.000 0.228 206 L C 2.263 179.230 176.870 0.160 0.000 1.123 206 L CA -0.188 54.811 54.840 0.265 0.000 0.890 206 L CB -0.214 41.979 42.059 0.223 0.000 1.103 206 L HN 0.010 nan 8.230 nan 0.000 0.468 207 A N 1.656 124.522 122.820 0.076 0.000 1.940 207 A HA -0.192 4.129 4.320 0.002 0.000 0.221 207 A C -0.093 177.512 177.584 0.035 0.000 1.190 207 A CA 1.998 54.045 52.037 0.018 0.000 0.647 207 A CB -1.751 17.201 19.000 -0.079 0.000 0.821 207 A HN 0.279 nan 8.150 nan 0.000 0.457 208 P HA -0.127 nan 4.420 nan 0.000 0.218 208 P C 1.138 178.256 177.300 -0.303 0.000 1.146 208 P CA 2.114 65.069 63.100 -0.241 0.000 0.813 208 P CB -0.141 31.163 31.700 -0.660 0.000 0.778 209 T N -5.988 108.504 114.554 -0.102 0.000 3.145 209 T HA 0.298 4.650 4.350 0.002 0.000 0.281 209 T C 0.304 175.115 174.700 0.184 0.000 1.003 209 T CA -0.256 61.877 62.100 0.055 0.000 0.901 209 T CB -0.499 68.460 68.868 0.153 0.000 1.112 209 T HN -0.098 nan 8.240 nan 0.000 0.535 210 L N 1.926 123.212 121.223 0.104 0.000 2.334 210 L HA 0.546 4.887 4.340 0.002 0.000 0.277 210 L C -0.346 176.569 176.870 0.074 0.000 1.075 210 L CA -0.748 54.172 54.840 0.132 0.000 0.804 210 L CB 1.152 43.267 42.059 0.092 0.000 1.174 210 L HN 0.131 nan 8.230 nan 0.000 0.438 211 D N 3.284 123.741 120.400 0.096 0.000 2.392 211 D HA 0.244 4.885 4.640 0.002 0.000 0.228 211 D C 0.305 176.614 176.300 0.014 0.000 1.074 211 D CA -0.202 53.809 54.000 0.018 0.000 0.838 211 D CB 1.383 42.260 40.800 0.129 0.000 1.067 211 D HN 0.364 nan 8.370 nan 0.000 0.511 212 L N 2.691 123.896 121.223 -0.031 0.000 2.628 212 L HA 0.252 4.593 4.340 0.002 0.000 0.229 212 L C 1.533 178.397 176.870 -0.011 0.000 1.137 212 L CA 0.145 54.974 54.840 -0.017 0.000 0.909 212 L CB 0.079 42.114 42.059 -0.041 0.000 1.137 212 L HN 0.712 nan 8.230 nan 0.000 0.470 213 G N 0.736 109.536 108.800 -0.000 0.000 2.143 213 G HA2 -0.266 3.695 3.960 0.002 0.000 0.248 213 G HA3 -0.266 3.695 3.960 0.002 0.000 0.248 213 G C 0.182 175.086 174.900 0.006 0.000 0.991 213 G CA 0.046 45.158 45.100 0.020 0.000 0.689 213 G HN 0.253 nan 8.290 nan 0.000 0.522 214 L N -0.002 121.205 121.223 -0.026 0.000 2.375 214 L HA 0.469 4.810 4.340 0.002 0.000 0.268 214 L C -1.701 175.091 176.870 -0.129 0.000 1.058 214 L CA -2.362 52.422 54.840 -0.093 0.000 0.803 214 L CB 0.855 42.830 42.059 -0.140 0.000 1.212 214 L HN -0.144 nan 8.230 nan 0.000 0.451 215 P HA -0.107 nan 4.420 nan 0.000 0.266 215 P C 0.463 177.308 177.300 -0.759 0.000 1.195 215 P CA -0.134 62.548 63.100 -0.698 0.000 0.768 215 P CB 0.264 31.101 31.700 -1.438 0.000 0.838 216 W N 4.155 124.970 121.300 -0.809 0.000 2.350 216 W HA -0.206 4.455 4.660 0.002 0.000 0.289 216 W C 1.046 177.295 176.519 -0.449 0.000 1.215 216 W CA 0.915 57.741 57.345 -0.864 0.000 1.236 216 W CB -1.810 26.803 29.460 -1.411 0.000 1.130 216 W HN 0.318 nan 8.180 nan 0.000 0.541 217 F N 0.046 119.282 119.950 -1.191 0.000 2.771 217 F HA 0.187 4.715 4.527 0.002 0.000 0.299 217 F C 1.742 177.274 175.800 -0.448 0.000 1.177 217 F CA 0.472 57.873 58.000 -0.998 0.000 1.450 217 F CB -1.236 37.022 39.000 -1.236 0.000 1.114 217 F HN -0.126 nan 8.300 nan 0.000 0.587 218 L N -0.852 120.094 121.223 -0.461 0.000 2.515 218 L HA 0.108 4.449 4.340 0.002 0.000 0.202 218 L C 2.442 179.181 176.870 -0.218 0.000 1.056 218 L CA 0.275 54.972 54.840 -0.239 0.000 0.847 218 L CB -0.524 41.367 42.059 -0.281 0.000 1.131 218 L HN 0.049 nan 8.230 nan 0.000 0.484 219 Q N 0.165 119.797 119.800 -0.281 0.000 2.079 219 Q HA -0.170 4.171 4.340 0.002 0.000 0.200 219 Q C 1.977 177.740 176.000 -0.394 0.000 0.974 219 Q CA 1.163 56.740 55.803 -0.376 0.000 0.840 219 Q CB 0.215 28.696 28.738 -0.428 0.000 0.898 219 Q HN 0.338 nan 8.270 nan 0.000 0.430 220 E N 0.042 120.156 120.200 -0.143 0.000 2.031 220 E HA -0.145 4.206 4.350 0.002 0.000 0.193 220 E C -0.674 175.948 176.600 0.037 0.000 0.994 220 E CA 1.303 57.721 56.400 0.029 0.000 0.800 220 E CB -1.469 28.361 29.700 0.216 0.000 0.752 220 E HN 0.404 nan 8.360 nan 0.000 0.447 221 P HA -0.099 nan 4.420 nan 0.000 0.217 221 P C 1.484 178.843 177.300 0.099 0.000 1.151 221 P CA 1.291 64.448 63.100 0.095 0.000 0.828 221 P CB -0.037 31.714 31.700 0.084 0.000 0.788 222 L N -5.220 116.009 121.223 0.009 0.000 2.693 222 L HA 0.367 4.708 4.340 0.002 0.000 0.235 222 L C 1.870 178.707 176.870 -0.055 0.000 1.127 222 L CA 0.727 55.568 54.840 0.001 0.000 0.914 222 L CB -0.525 41.517 42.059 -0.029 0.000 1.193 222 L HN -0.199 nan 8.230 nan 0.000 0.502 223 L N -1.592 119.567 121.223 -0.108 0.000 2.758 223 L HA 0.275 4.616 4.340 0.002 0.000 0.234 223 L C 1.521 178.421 176.870 0.050 0.000 1.049 223 L CA 0.110 54.880 54.840 -0.116 0.000 0.908 223 L CB 0.144 42.042 42.059 -0.268 0.000 1.362 223 L HN 0.306 nan 8.230 nan 0.000 0.499 224 H N -1.200 117.804 119.070 -0.109 0.000 2.549 224 H HA 0.175 4.732 4.556 0.002 0.000 0.279 224 H C 1.052 176.305 175.328 -0.126 0.000 1.018 224 H CA 0.221 56.193 56.048 -0.126 0.000 1.175 224 H CB 1.015 30.710 29.762 -0.113 0.000 1.485 224 H HN 0.118 nan 8.280 nan 0.000 0.543 225 T N -0.418 114.124 114.554 -0.019 0.000 3.019 225 T HA 0.123 4.474 4.350 0.002 0.000 0.247 225 T C -0.245 174.181 174.700 -0.457 0.000 0.992 225 T CA 0.337 62.296 62.100 -0.234 0.000 1.036 225 T CB 0.516 69.213 68.868 -0.283 0.000 1.063 225 T HN -0.037 nan 8.240 nan 0.000 0.476 226 F N 1.048 121.046 119.950 0.080 0.000 2.603 226 F HA 0.597 5.125 4.527 0.002 0.000 0.317 226 F C 0.109 175.910 175.800 0.002 0.000 1.066 226 F CA -1.489 56.536 58.000 0.043 0.000 0.941 226 F CB 1.328 40.332 39.000 0.008 0.000 1.291 226 F HN -0.374 nan 8.300 nan 0.000 0.472 227 R N 1.211 121.839 120.500 0.214 0.000 2.594 227 R HA 0.446 4.787 4.340 0.002 0.000 0.272 227 R C -0.872 175.482 176.300 0.091 0.000 1.074 227 R CA -0.527 55.642 56.100 0.115 0.000 1.105 227 R CB 0.420 30.796 30.300 0.126 0.000 1.008 227 R HN 0.504 nan 8.270 nan 0.000 0.472 228 L N 4.285 125.514 121.223 0.010 0.000 2.380 228 L HA 0.209 4.550 4.340 0.002 0.000 0.273 228 L C -1.836 175.098 176.870 0.107 0.000 1.138 228 L CA -1.940 52.861 54.840 -0.065 0.000 0.832 228 L CB 0.563 42.332 42.059 -0.485 0.000 1.124 228 L HN 0.315 nan 8.230 nan 0.000 0.454 229 P HA -0.035 nan 4.420 nan 0.000 0.257 229 P C 0.222 177.554 177.300 0.054 0.000 1.189 229 P CA 0.120 63.258 63.100 0.062 0.000 0.780 229 P CB 0.933 32.581 31.700 -0.087 0.000 0.772 230 A N 4.685 127.587 122.820 0.136 0.000 1.978 230 A HA -0.216 4.105 4.320 0.002 0.000 0.220 230 A C 1.700 179.281 177.584 -0.005 0.000 1.170 230 A CA 1.541 53.639 52.037 0.101 0.000 0.636 230 A CB -1.506 17.563 19.000 0.115 0.000 0.810 230 A HN 0.662 nan 8.150 nan 0.000 0.448 231 F N -0.269 119.710 119.950 0.048 0.000 2.269 231 F HA -0.066 4.463 4.527 0.002 0.000 0.301 231 F C 1.472 177.272 175.800 -0.001 0.000 1.082 231 F CA 1.119 59.129 58.000 0.015 0.000 1.360 231 F CB -0.744 38.268 39.000 0.019 0.000 1.041 231 F HN 0.101 nan 8.300 nan 0.000 0.512 232 L N 0.086 120.856 121.223 -0.755 0.000 2.362 232 L HA -0.074 4.267 4.340 0.002 0.000 0.219 232 L C 2.054 178.700 176.870 -0.373 0.000 1.134 232 L CA 0.445 54.981 54.840 -0.507 0.000 0.807 232 L CB -0.312 41.501 42.059 -0.412 0.000 0.927 232 L HN 0.310 nan 8.230 nan 0.000 0.447 233 I N -0.704 119.574 120.570 -0.487 0.000 4.025 233 I HA -0.000 4.171 4.170 0.002 0.000 0.336 233 I C 1.658 177.707 176.117 -0.115 0.000 1.390 233 I CA 0.359 61.374 61.300 -0.475 0.000 1.099 233 I CB 0.255 37.646 38.000 -1.014 0.000 1.049 233 I HN 0.047 nan 8.210 nan 0.000 0.394 234 K N 0.719 121.094 120.400 -0.042 0.000 2.103 234 K HA -0.079 4.242 4.320 0.002 0.000 0.204 234 K C 2.222 178.874 176.600 0.086 0.000 1.052 234 K CA 1.541 57.864 56.287 0.061 0.000 0.945 234 K CB -0.202 32.338 32.500 0.066 0.000 0.722 234 K HN 0.211 nan 8.250 nan 0.000 0.443 235 S N -0.685 115.042 115.700 0.044 0.000 2.365 235 S HA -0.179 4.292 4.470 0.002 0.000 0.225 235 S C 1.824 176.445 174.600 0.035 0.000 1.039 235 S CA 2.235 60.458 58.200 0.038 0.000 1.033 235 S CB -0.603 62.612 63.200 0.024 0.000 0.887 235 S HN 0.448 nan 8.310 nan 0.000 0.447 236 T N 0.370 114.939 114.554 0.025 0.000 2.737 236 T HA -0.071 4.280 4.350 0.002 0.000 0.265 236 T C 1.469 176.187 174.700 0.031 0.000 1.038 236 T CA 1.567 63.680 62.100 0.021 0.000 1.144 236 T CB -0.665 68.218 68.868 0.026 0.000 0.866 236 T HN 0.594 nan 8.240 nan 0.000 0.434 237 Y N 2.856 123.113 120.300 -0.071 0.000 2.128 237 Y HA -0.215 4.336 4.550 0.002 0.000 0.284 237 Y C 2.270 178.145 175.900 -0.041 0.000 1.154 237 Y CA 1.423 59.436 58.100 -0.144 0.000 1.149 237 Y CB -0.506 37.882 38.460 -0.120 0.000 0.976 237 Y HN 0.128 nan 8.280 nan 0.000 0.505 238 N N 0.521 119.281 118.700 0.100 0.000 2.205 238 N HA -0.172 4.569 4.740 0.002 0.000 0.186 238 N C 1.598 177.121 175.510 0.022 0.000 1.015 238 N CA 1.579 54.663 53.050 0.058 0.000 0.862 238 N CB -0.276 38.254 38.487 0.071 0.000 0.986 238 N HN 0.491 nan 8.380 nan 0.000 0.429 239 K N 0.514 120.903 120.400 -0.020 0.000 2.097 239 K HA 0.003 4.324 4.320 0.002 0.000 0.205 239 K C 2.064 178.625 176.600 -0.065 0.000 1.050 239 K CA 0.682 56.947 56.287 -0.037 0.000 0.938 239 K CB -0.081 32.385 32.500 -0.057 0.000 0.718 239 K HN 0.143 nan 8.250 nan 0.000 0.442 240 L N -0.416 120.738 121.223 -0.115 0.000 2.072 240 L HA -0.165 4.176 4.340 0.002 0.000 0.205 240 L C 2.438 179.311 176.870 0.005 0.000 1.079 240 L CA 1.048 55.837 54.840 -0.085 0.000 0.752 240 L CB -0.460 41.521 42.059 -0.130 0.000 0.906 240 L HN 0.155 nan 8.230 nan 0.000 0.436 241 Y N 1.369 121.529 120.300 -0.234 0.000 2.128 241 Y HA -0.331 4.220 4.550 0.002 0.000 0.284 241 Y C 2.329 178.168 175.900 -0.101 0.000 1.154 241 Y CA 1.922 59.910 58.100 -0.186 0.000 1.149 241 Y CB -0.157 38.148 38.460 -0.257 0.000 0.976 241 Y HN 0.243 nan 8.280 nan 0.000 0.505 242 D N -0.929 119.517 120.400 0.077 0.000 2.149 242 D HA -0.238 4.404 4.640 0.002 0.000 0.198 242 D C 1.824 178.051 176.300 -0.122 0.000 0.990 242 D CA 1.578 55.581 54.000 0.003 0.000 0.839 242 D CB -0.726 40.099 40.800 0.043 0.000 0.948 242 D HN 0.488 nan 8.370 nan 0.000 0.460 243 Y N 0.856 120.980 120.300 -0.293 0.000 2.109 243 Y HA -0.216 4.335 4.550 0.002 0.000 0.285 243 Y C 2.082 177.661 175.900 -0.534 0.000 1.131 243 Y CA 1.371 59.215 58.100 -0.427 0.000 1.121 243 Y CB -0.804 37.318 38.460 -0.563 0.000 0.987 243 Y HN -0.179 nan 8.280 nan 0.000 0.495 244 F N 1.100 120.707 119.950 -0.572 0.000 2.126 244 F HA -0.252 4.276 4.527 0.002 0.000 0.299 244 F C 2.829 178.183 175.800 -0.744 0.000 1.096 244 F CA 2.003 59.521 58.000 -0.803 0.000 1.255 244 F CB -1.203 37.459 39.000 -0.564 0.000 0.997 244 F HN 0.202 nan 8.300 nan 0.000 0.479 245 Q N 0.582 120.068 119.800 -0.522 0.000 2.135 245 Q HA -0.220 4.121 4.340 0.002 0.000 0.204 245 Q C 2.153 177.941 176.000 -0.353 0.000 0.981 245 Q CA 2.209 57.717 55.803 -0.491 0.000 0.856 245 Q CB -0.216 28.192 28.738 -0.549 0.000 0.902 245 Q HN 0.495 nan 8.270 nan 0.000 0.425 246 S N -0.867 114.618 115.700 -0.359 0.000 2.478 246 S HA -0.022 4.449 4.470 0.002 0.000 0.222 246 S C 1.659 176.063 174.600 -0.328 0.000 1.008 246 S CA 0.518 58.553 58.200 -0.277 0.000 0.928 246 S CB 0.439 63.519 63.200 -0.200 0.000 0.781 246 S HN 0.362 nan 8.310 nan 0.000 0.518 247 V N -2.239 117.354 119.914 -0.535 0.000 3.643 247 V HA 0.722 4.843 4.120 0.002 0.000 0.280 247 V C 1.446 177.219 176.094 -0.535 0.000 1.351 247 V CA 0.289 62.276 62.300 -0.520 0.000 1.073 247 V CB -0.152 31.245 31.823 -0.710 0.000 0.863 247 V HN 0.455 nan 8.190 nan 0.000 0.436 248 A N 0.108 122.570 122.820 -0.597 0.000 2.460 248 A HA 0.299 4.620 4.320 0.002 0.000 0.258 248 A C 1.696 179.175 177.584 -0.176 0.000 1.300 248 A CA 0.700 52.465 52.037 -0.452 0.000 0.913 248 A CB -0.765 17.896 19.000 -0.565 0.000 1.031 248 A HN 0.440 nan 8.150 nan 0.000 0.512 249 T N 2.376 116.839 114.554 -0.152 0.000 2.620 249 T HA -0.158 4.194 4.350 0.002 0.000 0.267 249 T C -0.172 174.515 174.700 -0.021 0.000 1.044 249 T CA 2.290 64.339 62.100 -0.086 0.000 1.161 249 T CB -1.126 67.700 68.868 -0.070 0.000 0.862 249 T HN 0.536 nan 8.240 nan 0.000 0.438 250 P HA 0.016 nan 4.420 nan 0.000 0.221 250 P C 1.433 178.840 177.300 0.177 0.000 1.145 250 P CA 0.835 64.003 63.100 0.113 0.000 0.795 250 P CB -0.186 31.610 31.700 0.160 0.000 0.775 251 V N -0.582 119.432 119.914 0.167 0.000 2.599 251 V HA -0.088 4.034 4.120 0.002 0.000 0.245 251 V C 2.746 178.840 176.094 -0.000 0.000 1.046 251 V CA 1.342 63.754 62.300 0.186 0.000 1.065 251 V CB -1.040 30.901 31.823 0.197 0.000 0.703 251 V HN -0.015 nan 8.190 nan 0.000 0.464 252 M N -0.120 119.454 119.600 -0.045 0.000 2.213 252 M HA -0.188 4.293 4.480 0.002 0.000 0.263 252 M C 2.111 178.356 176.300 -0.092 0.000 1.062 252 M CA 1.875 57.122 55.300 -0.088 0.000 1.105 252 M CB -0.460 32.076 32.600 -0.107 0.000 1.385 252 M HN 0.393 nan 8.290 nan 0.000 0.417 253 E N -0.043 120.107 120.200 -0.085 0.000 2.072 253 E HA -0.229 4.123 4.350 0.002 0.000 0.190 253 E C 2.007 178.511 176.600 -0.159 0.000 0.982 253 E CA 1.008 57.349 56.400 -0.098 0.000 0.803 253 E CB -0.229 29.428 29.700 -0.071 0.000 0.755 253 E HN 0.395 nan 8.360 nan 0.000 0.453 254 Q N 1.427 121.074 119.800 -0.255 0.000 2.234 254 Q HA -0.151 4.190 4.340 0.002 0.000 0.206 254 Q C 1.852 177.679 176.000 -0.288 0.000 0.980 254 Q CA 1.623 57.160 55.803 -0.443 0.000 0.869 254 Q CB -0.254 27.874 28.738 -1.016 0.000 0.912 254 Q HN 0.256 nan 8.270 nan 0.000 0.436 255 A N 0.581 123.284 122.820 -0.195 0.000 1.845 255 A HA -0.239 4.082 4.320 0.002 0.000 0.215 255 A C 1.963 179.475 177.584 -0.121 0.000 1.195 255 A CA 1.699 53.650 52.037 -0.142 0.000 0.616 255 A CB -0.769 18.161 19.000 -0.117 0.000 0.832 255 A HN 0.573 nan 8.150 nan 0.000 0.443 256 E N -0.166 119.970 120.200 -0.106 0.000 2.130 256 E HA -0.239 4.112 4.350 0.002 0.000 0.196 256 E C 2.040 178.591 176.600 -0.083 0.000 0.998 256 E CA 1.567 57.918 56.400 -0.081 0.000 0.806 256 E CB -0.191 29.469 29.700 -0.067 0.000 0.738 256 E HN 0.596 nan 8.360 nan 0.000 0.459 257 K N 0.320 120.656 120.400 -0.107 0.000 2.147 257 K HA -0.097 4.225 4.320 0.002 0.000 0.205 257 K C 2.040 178.586 176.600 -0.090 0.000 1.049 257 K CA 0.806 57.032 56.287 -0.101 0.000 0.936 257 K CB -0.025 32.395 32.500 -0.134 0.000 0.722 257 K HN 0.140 nan 8.250 nan 0.000 0.446 258 L N -0.537 120.624 121.223 -0.104 0.000 2.395 258 L HA 0.029 4.370 4.340 0.002 0.000 0.218 258 L C 0.999 177.831 176.870 -0.064 0.000 1.130 258 L CA 0.586 55.376 54.840 -0.083 0.000 0.826 258 L CB 0.043 42.044 42.059 -0.096 0.000 0.941 258 L HN 0.460 nan 8.230 nan 0.000 0.451 259 G N 0.149 108.910 108.800 -0.063 0.000 2.173 259 G HA2 -0.159 3.802 3.960 0.002 0.000 0.174 259 G HA3 -0.159 3.802 3.960 0.002 0.000 0.174 259 G C -0.356 174.513 174.900 -0.051 0.000 1.025 259 G CA -0.290 44.782 45.100 -0.048 0.000 0.706 259 G HN 0.033 nan 8.290 nan 0.000 0.499 260 V N 0.274 120.148 119.914 -0.066 0.000 2.531 260 V HA 0.535 4.656 4.120 0.002 0.000 0.301 260 V C -2.012 174.038 176.094 -0.073 0.000 1.034 260 V CA -1.904 60.350 62.300 -0.077 0.000 0.865 260 V CB 2.302 34.064 31.823 -0.102 0.000 0.995 260 V HN 0.114 nan 8.190 nan 0.000 0.424 261 P HA 0.177 nan 4.420 nan 0.000 0.269 261 P C 0.713 177.981 177.300 -0.055 0.000 1.215 261 P CA -0.128 62.949 63.100 -0.037 0.000 0.780 261 P CB 0.717 32.419 31.700 0.003 0.000 0.898 262 K N 1.281 121.659 120.400 -0.037 0.000 2.103 262 K HA -0.239 4.082 4.320 0.002 0.000 0.207 262 K C 1.480 178.061 176.600 -0.033 0.000 1.048 262 K CA 1.967 58.225 56.287 -0.049 0.000 0.930 262 K CB -0.350 32.127 32.500 -0.039 0.000 0.716 262 K HN 0.551 nan 8.250 nan 0.000 0.444 263 D N 1.096 121.519 120.400 0.039 0.000 2.087 263 D HA -0.224 4.418 4.640 0.002 0.000 0.192 263 D C 1.861 178.229 176.300 0.115 0.000 0.993 263 D CA 1.558 55.651 54.000 0.154 0.000 0.828 263 D CB 0.016 40.974 40.800 0.262 0.000 0.968 263 D HN 0.223 nan 8.370 nan 0.000 0.448 264 E N -0.827 119.293 120.200 -0.133 0.000 2.265 264 E HA -0.176 4.175 4.350 0.002 0.000 0.196 264 E C 1.834 178.290 176.600 -0.241 0.000 0.996 264 E CA 0.871 56.946 56.400 -0.542 0.000 0.832 264 E CB -0.151 29.046 29.700 -0.839 0.000 0.756 264 E HN 0.370 nan 8.360 nan 0.000 0.491 265 A N 0.232 122.958 122.820 -0.156 0.000 1.854 265 A HA -0.099 4.222 4.320 0.002 0.000 0.214 265 A C 2.365 179.865 177.584 -0.140 0.000 1.192 265 A CA 1.212 53.167 52.037 -0.137 0.000 0.611 265 A CB -0.628 18.297 19.000 -0.125 0.000 0.832 265 A HN 0.199 nan 8.150 nan 0.000 0.442 266 V N 0.250 120.056 119.914 -0.179 0.000 2.332 266 V HA -0.296 3.825 4.120 0.002 0.000 0.248 266 V C 2.473 178.427 176.094 -0.233 0.000 1.055 266 V CA 2.202 64.315 62.300 -0.311 0.000 1.038 266 V CB -1.179 30.302 31.823 -0.569 0.000 0.651 266 V HN 0.629 nan 8.190 nan 0.000 0.450 267 H N 0.092 119.206 119.070 0.074 0.000 2.321 267 H HA -0.097 4.460 4.556 0.002 0.000 0.300 267 H C 2.398 177.789 175.328 0.106 0.000 1.087 267 H CA 1.651 57.821 56.048 0.203 0.000 1.319 267 H CB -0.352 29.593 29.762 0.305 0.000 1.379 267 H HN 0.448 nan 8.280 nan 0.000 0.501 268 N N 0.685 119.447 118.700 0.104 0.000 2.244 268 N HA -0.085 4.656 4.740 0.002 0.000 0.183 268 N C 2.139 177.651 175.510 0.004 0.000 1.016 268 N CA 0.593 53.665 53.050 0.037 0.000 0.866 268 N CB 0.043 38.490 38.487 -0.065 0.000 0.980 268 N HN 0.318 nan 8.380 nan 0.000 0.430 269 I N 1.257 121.764 120.570 -0.106 0.000 2.202 269 I HA -0.240 3.931 4.170 0.002 0.000 0.242 269 I C 2.519 178.404 176.117 -0.386 0.000 1.091 269 I CA 0.658 61.835 61.300 -0.205 0.000 1.368 269 I CB -0.251 37.605 38.000 -0.240 0.000 1.058 269 I HN 0.100 nan 8.210 nan 0.000 0.410 270 L N 0.077 120.975 121.223 -0.540 0.000 2.043 270 L HA -0.288 4.053 4.340 0.002 0.000 0.212 270 L C 2.561 179.285 176.870 -0.244 0.000 1.075 270 L CA 1.735 56.056 54.840 -0.865 0.000 0.752 270 L CB -0.341 41.428 42.059 -0.483 0.000 0.891 270 L HN 0.124 nan 8.230 nan 0.000 0.432 271 F N 0.388 120.323 119.950 -0.025 0.000 2.075 271 F HA -0.213 4.316 4.527 0.002 0.000 0.297 271 F C 2.440 178.379 175.800 0.232 0.000 1.113 271 F CA 1.663 59.824 58.000 0.268 0.000 1.218 271 F CB -0.424 38.728 39.000 0.253 0.000 0.984 271 F HN 0.163 nan 8.300 nan 0.000 0.472 272 A N -0.407 122.580 122.820 0.279 0.000 1.908 272 A HA -0.152 4.169 4.320 0.002 0.000 0.218 272 A C 2.247 179.918 177.584 0.144 0.000 1.181 272 A CA 2.146 54.287 52.037 0.173 0.000 0.627 272 A CB -1.326 17.689 19.000 0.024 0.000 0.818 272 A HN 0.272 nan 8.150 nan 0.000 0.445 273 V N -1.035 118.919 119.914 0.066 0.000 2.283 273 V HA -0.267 3.855 4.120 0.002 0.000 0.243 273 V C 2.644 178.975 176.094 0.395 0.000 1.039 273 V CA 2.007 64.445 62.300 0.230 0.000 1.016 273 V CB -1.145 30.815 31.823 0.229 0.000 0.650 273 V HN 0.702 nan 8.190 nan 0.000 0.449 274 C N -1.032 118.468 119.300 0.332 0.000 2.476 274 C HA -0.018 4.443 4.460 0.002 0.000 0.278 274 C C 2.494 177.750 174.990 0.444 0.000 1.274 274 C CA 0.697 59.970 59.018 0.425 0.000 1.713 274 C CB -0.921 27.020 27.740 0.335 0.000 2.039 274 C HN 0.579 nan 8.230 nan 0.000 0.484 275 F N 1.903 121.952 119.950 0.166 0.000 2.104 275 F HA -0.027 4.502 4.527 0.002 0.000 0.288 275 F C 2.470 178.327 175.800 0.097 0.000 1.107 275 F CA 1.509 59.502 58.000 -0.012 0.000 1.208 275 F CB -0.395 38.140 39.000 -0.776 0.000 1.033 275 F HN 0.166 nan 8.300 nan 0.000 0.478 276 N N -0.125 118.839 118.700 0.440 0.000 2.025 276 N HA -0.154 4.588 4.740 0.002 0.000 0.194 276 N C 1.682 177.409 175.510 0.363 0.000 1.044 276 N CA 2.349 55.664 53.050 0.442 0.000 0.851 276 N CB -0.987 37.715 38.487 0.358 0.000 1.036 276 N HN 0.294 nan 8.380 nan 0.000 0.422 277 T N 1.496 116.263 114.554 0.356 0.000 2.643 277 T HA -0.083 4.268 4.350 0.002 0.000 0.256 277 T C 1.762 176.654 174.700 0.321 0.000 1.061 277 T CA 0.743 63.065 62.100 0.370 0.000 1.163 277 T CB -0.832 68.310 68.868 0.455 0.000 0.865 277 T HN 0.143 nan 8.240 nan 0.000 0.407 278 F N 2.334 122.432 119.950 0.246 0.000 2.091 278 F HA -0.088 4.440 4.527 0.002 0.000 0.299 278 F C 2.414 178.269 175.800 0.092 0.000 1.103 278 F CA 1.535 59.649 58.000 0.190 0.000 1.228 278 F CB -1.000 38.158 39.000 0.263 0.000 0.984 278 F HN 0.201 nan 8.300 nan 0.000 0.477 279 G N -0.576 108.268 108.800 0.074 0.000 2.446 279 G HA2 -0.247 3.714 3.960 0.002 0.000 0.217 279 G HA3 -0.247 3.714 3.960 0.002 0.000 0.217 279 G C 1.919 176.758 174.900 -0.101 0.000 1.168 279 G CA 0.806 45.844 45.100 -0.103 0.000 0.771 279 G HN 0.655 nan 8.290 nan 0.000 0.551 280 G N 0.034 108.850 108.800 0.027 0.000 2.402 280 G HA2 -0.067 3.894 3.960 0.002 0.000 0.216 280 G HA3 -0.067 3.894 3.960 0.002 0.000 0.216 280 G C 1.768 176.629 174.900 -0.065 0.000 1.162 280 G CA 1.114 46.246 45.100 0.053 0.000 0.777 280 G HN 0.328 nan 8.290 nan 0.000 0.539 281 V N 0.967 120.782 119.914 -0.164 0.000 2.358 281 V HA -0.128 3.993 4.120 0.002 0.000 0.246 281 V C 2.632 178.482 176.094 -0.406 0.000 1.047 281 V CA 2.093 64.157 62.300 -0.393 0.000 1.035 281 V CB -0.382 31.142 31.823 -0.498 0.000 0.658 281 V HN 0.459 nan 8.190 nan 0.000 0.452 282 K N -0.186 119.922 120.400 -0.488 0.000 2.173 282 K HA -0.216 4.105 4.320 0.002 0.000 0.207 282 K C 1.882 178.370 176.600 -0.187 0.000 1.046 282 K CA 1.885 57.888 56.287 -0.473 0.000 0.929 282 K CB -0.136 31.938 32.500 -0.710 0.000 0.720 282 K HN 0.484 nan 8.250 nan 0.000 0.453 283 I N -0.400 120.098 120.570 -0.120 0.000 2.729 283 I HA -0.143 4.028 4.170 0.002 0.000 0.256 283 I C 2.024 178.176 176.117 0.058 0.000 1.115 283 I CA -0.051 61.246 61.300 -0.004 0.000 1.446 283 I CB -0.124 37.892 38.000 0.026 0.000 1.176 283 I HN 0.103 nan 8.210 nan 0.000 0.446 284 L N 1.022 122.276 121.223 0.051 0.000 1.990 284 L HA -0.250 4.091 4.340 0.002 0.000 0.213 284 L C 2.301 179.321 176.870 0.250 0.000 1.072 284 L CA 2.218 57.136 54.840 0.129 0.000 0.755 284 L CB -0.799 41.312 42.059 0.086 0.000 0.889 284 L HN 0.038 nan 8.230 nan 0.000 0.432 285 F N -0.040 119.833 119.950 -0.129 0.000 2.075 285 F HA -0.071 4.457 4.527 0.002 0.000 0.297 285 F C -0.033 175.721 175.800 -0.078 0.000 1.113 285 F CA 1.204 59.047 58.000 -0.262 0.000 1.218 285 F CB -2.594 36.117 39.000 -0.482 0.000 0.984 285 F HN 0.190 nan 8.300 nan 0.000 0.472 286 P HA -0.112 nan 4.420 nan 0.000 0.217 286 P C 1.382 178.703 177.300 0.035 0.000 1.150 286 P CA 1.457 64.634 63.100 0.129 0.000 0.832 286 P CB 0.006 31.822 31.700 0.194 0.000 0.787 287 N N -1.361 117.384 118.700 0.075 0.000 2.120 287 N HA -0.094 4.648 4.740 0.002 0.000 0.188 287 N C 1.670 177.251 175.510 0.119 0.000 1.024 287 N CA 1.550 54.628 53.050 0.048 0.000 0.852 287 N CB -1.221 37.377 38.487 0.184 0.000 1.003 287 N HN 0.133 nan 8.380 nan 0.000 0.424 288 T N 1.705 116.379 114.554 0.200 0.000 2.746 288 T HA -0.091 4.260 4.350 0.002 0.000 0.267 288 T C 1.960 176.749 174.700 0.149 0.000 1.039 288 T CA 0.560 62.801 62.100 0.235 0.000 1.142 288 T CB -0.362 68.626 68.868 0.200 0.000 0.866 288 T HN 0.087 nan 8.240 nan 0.000 0.444 289 L N 1.553 122.835 121.223 0.099 0.000 2.079 289 L HA -0.022 4.319 4.340 0.002 0.000 0.210 289 L C 2.304 179.174 176.870 0.001 0.000 1.081 289 L CA 1.851 56.679 54.840 -0.020 0.000 0.752 289 L CB -0.532 41.378 42.059 -0.248 0.000 0.896 289 L HN 0.103 nan 8.230 nan 0.000 0.433 290 K N -1.286 119.060 120.400 -0.090 0.000 2.001 290 K HA -0.217 4.104 4.320 0.002 0.000 0.208 290 K C 2.129 178.594 176.600 -0.224 0.000 1.048 290 K CA 1.936 58.109 56.287 -0.191 0.000 0.932 290 K CB -0.594 31.683 32.500 -0.372 0.000 0.715 290 K HN 0.434 nan 8.250 nan 0.000 0.437 291 W N 1.383 122.574 121.300 -0.180 0.000 2.338 291 W HA -0.191 4.470 4.660 0.002 0.000 0.304 291 W C 2.040 178.268 176.519 -0.485 0.000 1.212 291 W CA 0.064 57.120 57.345 -0.482 0.000 1.264 291 W CB -0.091 28.834 29.460 -0.892 0.000 1.142 291 W HN 0.083 nan 8.180 nan 0.000 0.512 292 I N 0.322 120.873 120.570 -0.031 0.000 2.142 292 I HA -0.181 3.991 4.170 0.002 0.000 0.240 292 I C 2.627 178.820 176.117 0.128 0.000 1.078 292 I CA 2.001 63.352 61.300 0.086 0.000 1.343 292 I CB -2.108 36.014 38.000 0.203 0.000 1.046 292 I HN 0.107 nan 8.210 nan 0.000 0.405 293 G N 1.113 110.006 108.800 0.155 0.000 2.469 293 G HA2 -0.209 3.752 3.960 0.002 0.000 0.220 293 G HA3 -0.209 3.752 3.960 0.002 0.000 0.220 293 G C 1.717 176.642 174.900 0.042 0.000 1.136 293 G CA 0.450 45.602 45.100 0.087 0.000 0.759 293 G HN 0.367 nan 8.290 nan 0.000 0.562 294 L N 0.509 121.749 121.223 0.029 0.000 2.558 294 L HA 0.216 4.557 4.340 0.002 0.000 0.225 294 L C 3.041 179.941 176.870 0.051 0.000 1.128 294 L CA 0.326 55.178 54.840 0.019 0.000 0.868 294 L CB -0.057 42.005 42.059 0.005 0.000 1.006 294 L HN 0.302 nan 8.230 nan 0.000 0.454 295 A N 0.199 123.068 122.820 0.082 0.000 1.968 295 A HA 0.346 4.667 4.320 0.002 0.000 0.217 295 A C 1.295 178.893 177.584 0.024 0.000 1.169 295 A CA 1.107 53.213 52.037 0.115 0.000 0.638 295 A CB -0.243 18.874 19.000 0.193 0.000 0.812 295 A HN 0.459 nan 8.150 nan 0.000 0.446 296 G N -1.612 107.131 108.800 -0.094 0.000 2.462 296 G HA2 -0.080 3.881 3.960 0.002 0.000 0.685 296 G HA3 -0.080 3.881 3.960 0.002 0.000 0.685 296 G C 0.210 174.750 174.900 -0.601 0.000 1.295 296 G CA 0.207 45.147 45.100 -0.266 0.000 0.941 296 G HN 0.245 nan 8.290 nan 0.000 0.554 297 E N -0.475 119.439 120.200 -0.476 0.000 2.107 297 E HA -0.120 4.231 4.350 0.002 0.000 0.191 297 E C 2.109 178.575 176.600 -0.223 0.000 0.982 297 E CA 1.084 57.217 56.400 -0.446 0.000 0.809 297 E CB -0.203 29.358 29.700 -0.232 0.000 0.756 297 E HN 0.525 nan 8.360 nan 0.000 0.459 298 N N 0.164 118.776 118.700 -0.146 0.000 2.061 298 N HA -0.216 4.525 4.740 0.002 0.000 0.193 298 N C 2.142 177.615 175.510 -0.061 0.000 1.030 298 N CA 1.035 54.037 53.050 -0.081 0.000 0.856 298 N CB -0.044 38.408 38.487 -0.058 0.000 1.023 298 N HN 0.158 nan 8.380 nan 0.000 0.424 299 L N 0.928 122.135 121.223 -0.027 0.000 2.093 299 L HA -0.109 4.232 4.340 0.002 0.000 0.208 299 L C 1.881 178.722 176.870 -0.048 0.000 1.085 299 L CA 1.740 56.587 54.840 0.012 0.000 0.755 299 L CB -0.833 41.295 42.059 0.114 0.000 0.904 299 L HN 0.226 nan 8.230 nan 0.000 0.435 300 H N -0.654 118.268 119.070 -0.246 0.000 2.352 300 H HA -0.126 4.431 4.556 0.002 0.000 0.299 300 H C 2.348 177.410 175.328 -0.443 0.000 1.097 300 H CA 2.064 57.875 56.048 -0.395 0.000 1.311 300 H CB -1.170 28.531 29.762 -0.102 0.000 1.377 300 H HN 0.552 nan 8.280 nan 0.000 0.504 301 T N -1.252 113.246 114.554 -0.094 0.000 2.737 301 T HA -0.166 4.185 4.350 0.002 0.000 0.265 301 T C 1.934 176.542 174.700 -0.153 0.000 1.038 301 T CA 1.316 63.355 62.100 -0.102 0.000 1.144 301 T CB -0.271 68.565 68.868 -0.054 0.000 0.866 301 T HN 0.349 nan 8.240 nan 0.000 0.434 302 Q N 0.611 120.323 119.800 -0.147 0.000 2.135 302 Q HA 0.025 4.366 4.340 0.002 0.000 0.204 302 Q C 2.454 178.340 176.000 -0.191 0.000 0.981 302 Q CA 1.422 57.145 55.803 -0.133 0.000 0.856 302 Q CB -0.415 28.265 28.738 -0.096 0.000 0.902 302 Q HN 0.546 nan 8.270 nan 0.000 0.425 303 L N -0.383 120.631 121.223 -0.349 0.000 2.023 303 L HA -0.108 4.233 4.340 0.002 0.000 0.205 303 L C 2.526 179.169 176.870 -0.378 0.000 1.073 303 L CA 0.807 55.382 54.840 -0.441 0.000 0.745 303 L CB -0.614 40.943 42.059 -0.836 0.000 0.900 303 L HN 0.190 nan 8.230 nan 0.000 0.435 304 A N -0.098 122.429 122.820 -0.489 0.000 1.917 304 A HA -0.303 4.018 4.320 0.002 0.000 0.219 304 A C 2.216 179.752 177.584 -0.080 0.000 1.182 304 A CA 2.200 54.144 52.037 -0.156 0.000 0.633 304 A CB -0.605 18.356 19.000 -0.064 0.000 0.819 304 A HN 0.492 nan 8.150 nan 0.000 0.448 305 E N -0.596 119.544 120.200 -0.100 0.000 2.031 305 E HA -0.241 4.110 4.350 0.002 0.000 0.193 305 E C 2.113 178.687 176.600 -0.042 0.000 0.994 305 E CA 1.352 57.717 56.400 -0.058 0.000 0.800 305 E CB -0.179 29.486 29.700 -0.059 0.000 0.752 305 E HN 0.762 nan 8.360 nan 0.000 0.447 306 E N 0.311 120.477 120.200 -0.057 0.000 2.051 306 E HA -0.201 4.150 4.350 0.002 0.000 0.192 306 E C 2.190 178.783 176.600 -0.012 0.000 0.991 306 E CA 1.343 57.724 56.400 -0.031 0.000 0.799 306 E CB -0.122 29.552 29.700 -0.043 0.000 0.748 306 E HN 0.336 nan 8.360 nan 0.000 0.449 307 I N 0.486 121.043 120.570 -0.021 0.000 2.179 307 I HA -0.279 3.892 4.170 0.002 0.000 0.242 307 I C 2.763 178.887 176.117 0.011 0.000 1.088 307 I CA 1.223 62.524 61.300 0.001 0.000 1.357 307 I CB -0.292 37.721 38.000 0.020 0.000 1.051 307 I HN 0.070 nan 8.210 nan 0.000 0.409 308 R N 0.694 121.198 120.500 0.005 0.000 2.073 308 R HA -0.095 4.246 4.340 0.002 0.000 0.234 308 R C 2.481 178.786 176.300 0.009 0.000 1.134 308 R CA 1.512 57.615 56.100 0.005 0.000 0.952 308 R CB -0.811 29.488 30.300 -0.002 0.000 0.850 308 R HN 0.452 nan 8.270 nan 0.000 0.433 309 G N 0.689 109.495 108.800 0.010 0.000 2.418 309 G HA2 -0.271 3.691 3.960 0.002 0.000 0.217 309 G HA3 -0.271 3.691 3.960 0.002 0.000 0.217 309 G C 1.553 176.485 174.900 0.053 0.000 1.158 309 G CA 0.812 45.922 45.100 0.018 0.000 0.771 309 G HN 0.416 nan 8.290 nan 0.000 0.545 310 A N 0.749 123.620 122.820 0.084 0.000 1.877 310 A HA 0.051 4.372 4.320 0.002 0.000 0.216 310 A C 2.409 180.082 177.584 0.148 0.000 1.186 310 A CA 1.267 53.405 52.037 0.167 0.000 0.620 310 A CB -0.362 18.696 19.000 0.096 0.000 0.822 310 A HN 0.371 nan 8.150 nan 0.000 0.443 311 I N -0.450 120.162 120.570 0.070 0.000 2.127 311 I HA -0.288 3.883 4.170 0.002 0.000 0.241 311 I C 2.629 178.766 176.117 0.033 0.000 1.075 311 I CA 2.033 63.362 61.300 0.048 0.000 1.334 311 I CB -0.287 37.726 38.000 0.022 0.000 1.040 311 I HN 0.426 nan 8.210 nan 0.000 0.405 312 K N 0.740 121.146 120.400 0.010 0.000 2.057 312 K HA -0.145 4.176 4.320 0.002 0.000 0.206 312 K C 2.180 178.743 176.600 -0.062 0.000 1.050 312 K CA 1.856 58.131 56.287 -0.020 0.000 0.935 312 K CB 0.057 32.542 32.500 -0.024 0.000 0.715 312 K HN 0.170 nan 8.250 nan 0.000 0.439 313 S N -0.460 115.181 115.700 -0.099 0.000 2.395 313 S HA -0.038 4.433 4.470 0.002 0.000 0.225 313 S C 1.120 175.442 174.600 -0.463 0.000 1.027 313 S CA 0.801 58.818 58.200 -0.305 0.000 0.965 313 S CB -0.087 62.868 63.200 -0.409 0.000 0.812 313 S HN 0.382 nan 8.310 nan 0.000 0.482 314 Y N -0.078 120.217 120.300 -0.008 0.000 2.453 314 Y HA 0.400 4.951 4.550 0.002 0.000 0.247 314 Y C 2.111 178.007 175.900 -0.007 0.000 1.124 314 Y CA -0.108 57.987 58.100 -0.007 0.000 1.243 314 Y CB 0.164 38.619 38.460 -0.008 0.000 1.213 314 Y HN 0.294 nan 8.280 nan 0.000 0.523 315 G N -1.077 107.788 108.800 0.108 0.000 2.939 315 G HA2 0.015 3.977 3.960 0.002 0.000 0.216 315 G HA3 0.015 3.977 3.960 0.002 0.000 0.216 315 G C -0.209 174.710 174.900 0.032 0.000 1.125 315 G CA 0.409 45.549 45.100 0.065 0.000 0.766 315 G HN 0.274 nan 8.290 nan 0.000 0.541 316 D N -1.284 119.123 120.400 0.011 0.000 2.716 316 D HA -0.045 4.596 4.640 0.002 0.000 0.239 316 D C 1.514 177.815 176.300 0.002 0.000 1.125 316 D CA 1.654 55.652 54.000 -0.003 0.000 0.681 316 D CB -1.255 39.546 40.800 0.001 0.000 1.070 316 D HN 1.078 nan 8.370 nan 0.000 0.432 317 G N -0.813 107.988 108.800 0.002 0.000 2.268 317 G HA2 -0.318 3.643 3.960 0.002 0.000 0.240 317 G HA3 -0.318 3.643 3.960 0.002 0.000 0.240 317 G C 0.359 175.265 174.900 0.010 0.000 1.010 317 G CA 0.253 45.355 45.100 0.003 0.000 0.618 317 G HN 0.605 nan 8.290 nan 0.000 0.516 318 N N -0.410 118.299 118.700 0.016 0.000 2.457 318 N HA 0.592 5.334 4.740 0.002 0.000 0.290 318 N C -0.208 175.315 175.510 0.022 0.000 1.232 318 N CA -0.307 52.755 53.050 0.021 0.000 0.852 318 N CB 1.925 40.426 38.487 0.024 0.000 1.313 318 N HN 0.109 nan 8.380 nan 0.000 0.522 319 V N 0.817 120.743 119.914 0.019 0.000 2.461 319 V HA 0.424 4.545 4.120 0.002 0.000 0.275 319 V C 0.548 176.646 176.094 0.007 0.000 1.047 319 V CA -0.085 62.219 62.300 0.007 0.000 0.955 319 V CB 0.620 32.440 31.823 -0.005 0.000 0.988 319 V HN 0.927 nan 8.190 nan 0.000 0.471 320 T N 1.712 116.269 114.554 0.005 0.000 2.883 320 T HA 0.545 4.896 4.350 0.002 0.000 0.301 320 T C 0.718 175.412 174.700 -0.010 0.000 1.158 320 T CA -0.815 61.288 62.100 0.005 0.000 1.007 320 T CB 1.378 70.260 68.868 0.023 0.000 1.186 320 T HN 0.180 nan 8.240 nan 0.000 0.499 321 L N 0.404 121.620 121.223 -0.013 0.000 2.012 321 L HA -0.119 4.222 4.340 0.002 0.000 0.210 321 L C 2.709 179.562 176.870 -0.030 0.000 1.073 321 L CA 1.755 56.579 54.840 -0.026 0.000 0.748 321 L CB -0.733 41.316 42.059 -0.017 0.000 0.891 321 L HN 0.758 nan 8.230 nan 0.000 0.431 322 E N 0.361 120.553 120.200 -0.014 0.000 2.130 322 E HA -0.225 4.126 4.350 0.002 0.000 0.196 322 E C 2.218 178.787 176.600 -0.051 0.000 0.998 322 E CA 1.509 57.894 56.400 -0.024 0.000 0.806 322 E CB -0.317 29.397 29.700 0.023 0.000 0.738 322 E HN 0.507 nan 8.360 nan 0.000 0.459 323 A N 0.618 123.440 122.820 0.004 0.000 1.872 323 A HA -0.106 4.215 4.320 0.002 0.000 0.214 323 A C 2.239 179.800 177.584 -0.038 0.000 1.187 323 A CA 1.047 53.099 52.037 0.026 0.000 0.614 323 A CB -0.601 18.439 19.000 0.067 0.000 0.826 323 A HN 0.185 nan 8.150 nan 0.000 0.442 324 I N 0.054 120.596 120.570 -0.046 0.000 2.315 324 I HA -0.245 3.926 4.170 0.002 0.000 0.251 324 I C 1.979 178.049 176.117 -0.079 0.000 1.125 324 I CA 1.209 62.470 61.300 -0.066 0.000 1.392 324 I CB -0.332 37.620 38.000 -0.080 0.000 1.065 324 I HN 0.283 nan 8.210 nan 0.000 0.424 325 E N 0.515 120.659 120.200 -0.093 0.000 2.472 325 E HA -0.149 4.202 4.350 0.002 0.000 0.200 325 E C 1.430 177.942 176.600 -0.148 0.000 1.046 325 E CA 0.718 57.054 56.400 -0.107 0.000 0.871 325 E CB -0.046 29.587 29.700 -0.112 0.000 0.806 325 E HN 0.534 nan 8.360 nan 0.000 0.533 326 Q N -0.795 118.900 119.800 -0.175 0.000 2.188 326 Q HA 0.231 4.572 4.340 0.002 0.000 0.212 326 Q C 0.214 176.170 176.000 -0.074 0.000 0.846 326 Q CA 0.034 55.722 55.803 -0.191 0.000 0.989 326 Q CB 0.402 28.935 28.738 -0.343 0.000 1.114 326 Q HN 0.261 nan 8.270 nan 0.000 0.488 327 M N 2.039 121.604 119.600 -0.059 0.000 2.808 327 M HA 0.205 4.686 4.480 0.002 0.000 0.225 327 M C -1.715 174.566 176.300 -0.032 0.000 1.103 327 M CA -1.508 53.769 55.300 -0.038 0.000 0.982 327 M CB 1.326 33.902 32.600 -0.040 0.000 1.314 327 M HN -0.212 nan 8.290 nan 0.000 0.505 328 P HA -0.173 nan 4.420 nan 0.000 0.218 328 P C 1.383 178.693 177.300 0.017 0.000 1.149 328 P CA 1.044 64.147 63.100 0.005 0.000 0.817 328 P CB 0.432 32.136 31.700 0.007 0.000 0.785 329 L N 0.177 121.399 121.223 -0.001 0.000 2.072 329 L HA -0.040 4.301 4.340 0.002 0.000 0.205 329 L C 2.251 179.123 176.870 0.002 0.000 1.079 329 L CA 2.209 57.050 54.840 0.001 0.000 0.752 329 L CB -1.738 40.308 42.059 -0.022 0.000 0.906 329 L HN -0.105 nan 8.230 nan 0.000 0.436 330 T N -0.291 114.251 114.554 -0.019 0.000 2.720 330 T HA -0.209 4.143 4.350 0.002 0.000 0.268 330 T C 1.878 176.534 174.700 -0.073 0.000 1.037 330 T CA 1.825 63.907 62.100 -0.030 0.000 1.144 330 T CB -0.171 68.671 68.868 -0.043 0.000 0.864 330 T HN 0.339 nan 8.240 nan 0.000 0.444 331 K N 0.901 121.251 120.400 -0.084 0.000 2.026 331 K HA -0.045 4.276 4.320 0.002 0.000 0.208 331 K C 2.785 179.299 176.600 -0.143 0.000 1.048 331 K CA 1.362 57.541 56.287 -0.180 0.000 0.929 331 K CB -0.304 32.157 32.500 -0.064 0.000 0.713 331 K HN 0.169 nan 8.250 nan 0.000 0.439 332 S N 0.534 116.290 115.700 0.092 0.000 2.368 332 S HA -0.104 4.368 4.470 0.002 0.000 0.224 332 S C 2.014 176.710 174.600 0.160 0.000 1.029 332 S CA 0.876 59.232 58.200 0.260 0.000 0.988 332 S CB -0.163 63.158 63.200 0.200 0.000 0.838 332 S HN 0.088 nan 8.310 nan 0.000 0.462 333 V N 1.344 121.298 119.914 0.067 0.000 2.332 333 V HA -0.134 3.987 4.120 0.002 0.000 0.248 333 V C 2.420 178.577 176.094 0.105 0.000 1.055 333 V CA 1.865 64.227 62.300 0.104 0.000 1.038 333 V CB -0.513 31.391 31.823 0.135 0.000 0.651 333 V HN 0.428 nan 8.190 nan 0.000 0.450 334 V N -1.332 118.561 119.914 -0.035 0.000 2.358 334 V HA -0.233 3.888 4.120 0.002 0.000 0.246 334 V C 2.196 178.236 176.094 -0.090 0.000 1.047 334 V CA 1.866 64.101 62.300 -0.108 0.000 1.035 334 V CB -0.743 30.910 31.823 -0.283 0.000 0.658 334 V HN 0.528 nan 8.190 nan 0.000 0.452 335 Y N 0.646 120.892 120.300 -0.089 0.000 2.224 335 Y HA -0.208 4.344 4.550 0.002 0.000 0.289 335 Y C 2.539 178.341 175.900 -0.163 0.000 1.146 335 Y CA 1.653 59.609 58.100 -0.239 0.000 1.182 335 Y CB -0.581 37.562 38.460 -0.528 0.000 0.983 335 Y HN 0.330 nan 8.280 nan 0.000 0.524 336 E N -0.387 119.900 120.200 0.144 0.000 2.106 336 E HA -0.143 4.208 4.350 0.002 0.000 0.192 336 E C 2.488 179.050 176.600 -0.064 0.000 0.984 336 E CA 1.305 57.691 56.400 -0.023 0.000 0.806 336 E CB -0.327 29.101 29.700 -0.454 0.000 0.750 336 E HN 0.172 nan 8.360 nan 0.000 0.458 337 S N -0.826 114.947 115.700 0.122 0.000 2.383 337 S HA -0.039 4.432 4.470 0.002 0.000 0.227 337 S C 1.795 176.446 174.600 0.085 0.000 1.026 337 S CA 0.926 59.235 58.200 0.183 0.000 0.981 337 S CB -0.213 63.157 63.200 0.283 0.000 0.818 337 S HN 0.354 nan 8.310 nan 0.000 0.472 338 L N 0.827 122.071 121.223 0.036 0.000 2.217 338 L HA 0.082 4.424 4.340 0.002 0.000 0.211 338 L C 2.793 179.716 176.870 0.088 0.000 1.107 338 L CA 0.939 55.799 54.840 0.033 0.000 0.783 338 L CB -0.345 41.674 42.059 -0.066 0.000 0.919 338 L HN 0.294 nan 8.230 nan 0.000 0.442 339 R N 0.721 121.224 120.500 0.006 0.000 2.055 339 R HA -0.093 4.248 4.340 0.002 0.000 0.226 339 R C 2.304 178.537 176.300 -0.111 0.000 1.135 339 R CA 1.247 57.305 56.100 -0.070 0.000 0.959 339 R CB -0.156 30.041 30.300 -0.172 0.000 0.854 339 R HN 0.286 nan 8.270 nan 0.000 0.431 340 I N 0.425 120.892 120.570 -0.171 0.000 2.676 340 I HA -0.112 4.059 4.170 0.002 0.000 0.259 340 I C 0.059 176.168 176.117 -0.014 0.000 1.194 340 I CA 1.147 62.326 61.300 -0.202 0.000 1.473 340 I CB 0.290 38.004 38.000 -0.477 0.000 1.096 340 I HN 0.256 nan 8.210 nan 0.000 0.443 341 E N 1.048 121.301 120.200 0.089 0.000 3.074 341 E HA 0.275 4.626 4.350 0.002 0.000 0.287 341 E C -2.509 174.210 176.600 0.198 0.000 1.194 341 E CA -1.956 54.580 56.400 0.226 0.000 0.836 341 E CB 0.801 30.781 29.700 0.467 0.000 1.468 341 E HN 0.002 nan 8.360 nan 0.000 0.383 342 P HA -0.008 nan 4.420 nan 0.000 0.260 342 P C -2.191 175.236 177.300 0.211 0.000 1.185 342 P CA -0.756 62.468 63.100 0.207 0.000 0.763 342 P CB 0.640 32.448 31.700 0.180 0.000 0.776 343 P HA -0.127 nan 4.420 nan 0.000 0.216 343 P C -0.113 177.311 177.300 0.207 0.000 1.150 343 P CA 1.335 64.552 63.100 0.195 0.000 0.843 343 P CB 0.223 32.026 31.700 0.171 0.000 0.787 344 V N 0.085 120.151 119.914 0.254 0.000 2.305 344 V HA 0.191 4.312 4.120 0.002 0.000 0.275 344 V C -1.741 174.502 176.094 0.249 0.000 1.020 344 V CA -1.208 61.241 62.300 0.248 0.000 0.811 344 V CB 1.442 33.428 31.823 0.273 0.000 1.031 344 V HN -0.006 nan 8.190 nan 0.000 0.439 345 P HA 0.027 nan 4.420 nan 0.000 0.216 345 P C -2.138 175.306 177.300 0.239 0.000 1.153 345 P CA 0.869 64.062 63.100 0.155 0.000 0.844 345 P CB -0.659 31.105 31.700 0.107 0.000 0.787 346 P HA 0.252 nan 4.420 nan 0.000 0.297 346 P C -0.820 176.710 177.300 0.383 0.000 1.331 346 P CA 0.002 63.398 63.100 0.495 0.000 0.803 346 P CB 1.094 33.228 31.700 0.724 0.000 0.929 347 Q N 2.386 122.303 119.800 0.194 0.000 2.356 347 Q HA 0.535 4.876 4.340 0.002 0.000 0.270 347 Q C -1.045 174.961 176.000 0.011 0.000 1.058 347 Q CA -0.334 55.570 55.803 0.167 0.000 0.802 347 Q CB 2.119 30.921 28.738 0.107 0.000 1.303 347 Q HN 0.416 nan 8.270 nan 0.000 0.444 348 Y N -0.384 119.974 120.300 0.097 0.000 2.562 348 Y HA 0.898 5.450 4.550 0.002 0.000 0.343 348 Y C 0.548 176.449 175.900 0.001 0.000 1.025 348 Y CA -1.207 56.942 58.100 0.082 0.000 1.082 348 Y CB 2.660 41.193 38.460 0.121 0.000 1.264 348 Y HN 0.653 nan 8.280 nan 0.000 0.478 349 G N 1.692 110.581 108.800 0.149 0.000 2.734 349 G HA2 0.431 4.392 3.960 0.002 0.000 0.293 349 G HA3 0.431 4.392 3.960 0.002 0.000 0.293 349 G C -2.186 172.764 174.900 0.084 0.000 1.422 349 G CA -0.999 44.141 45.100 0.067 0.000 1.177 349 G HN 0.442 nan 8.290 nan 0.000 0.565 350 K N 2.023 122.470 120.400 0.079 0.000 2.253 350 K HA 0.651 4.972 4.320 0.002 0.000 0.277 350 K C 0.649 177.299 176.600 0.084 0.000 1.053 350 K CA -0.436 55.894 56.287 0.070 0.000 0.892 350 K CB 1.072 33.602 32.500 0.051 0.000 1.102 350 K HN 0.717 nan 8.250 nan 0.000 0.469 351 A N 4.811 127.687 122.820 0.093 0.000 2.553 351 A HA -0.013 4.308 4.320 0.002 0.000 0.258 351 A C 0.316 177.963 177.584 0.105 0.000 1.069 351 A CA 0.409 52.533 52.037 0.145 0.000 0.767 351 A CB 0.004 18.955 19.000 -0.081 0.000 0.997 351 A HN 0.957 nan 8.150 nan 0.000 0.512 352 K N 1.283 121.782 120.400 0.164 0.000 2.487 352 K HA 0.052 4.373 4.320 0.002 0.000 0.192 352 K C 0.462 177.117 176.600 0.092 0.000 1.027 352 K CA 0.944 57.290 56.287 0.098 0.000 1.054 352 K CB -0.138 32.410 32.500 0.079 0.000 0.824 352 K HN 0.927 nan 8.250 nan 0.000 0.510 353 S N -0.790 114.985 115.700 0.124 0.000 2.694 353 S HA 0.222 4.693 4.470 0.002 0.000 0.273 353 S C -1.517 173.076 174.600 -0.013 0.000 1.180 353 S CA -1.228 57.020 58.200 0.080 0.000 0.864 353 S CB 0.592 63.868 63.200 0.128 0.000 1.198 353 S HN -0.088 nan 8.310 nan 0.000 0.499 354 N N 1.336 120.028 118.700 -0.013 0.000 2.414 354 N HA 0.764 5.505 4.740 0.002 0.000 0.256 354 N C -0.855 174.663 175.510 0.013 0.000 1.029 354 N CA -0.251 52.738 53.050 -0.102 0.000 0.948 354 N CB 0.236 38.694 38.487 -0.047 0.000 1.102 354 N HN 0.601 nan 8.380 nan 0.000 0.496 355 F N -1.452 118.498 119.950 0.001 0.000 2.789 355 F HA 0.696 5.224 4.527 0.002 0.000 0.319 355 F C -0.244 175.560 175.800 0.007 0.000 1.168 355 F CA -1.116 56.884 58.000 -0.001 0.000 0.934 355 F CB 1.147 40.141 39.000 -0.010 0.000 1.375 355 F HN 0.105 nan 8.300 nan 0.000 0.480 356 T N 1.628 116.426 114.554 0.407 0.000 2.908 356 T HA 0.825 5.176 4.350 0.002 0.000 0.290 356 T C -0.889 173.990 174.700 0.298 0.000 1.034 356 T CA -0.566 61.690 62.100 0.261 0.000 1.010 356 T CB 1.110 70.053 68.868 0.125 0.000 1.068 356 T HN 0.921 nan 8.240 nan 0.000 0.481 357 I N 0.661 121.377 120.570 0.242 0.000 3.074 357 I HA 0.844 5.015 4.170 0.002 0.000 0.310 357 I C -1.140 175.087 176.117 0.184 0.000 1.153 357 I CA -1.218 60.196 61.300 0.190 0.000 0.993 357 I CB 2.550 40.667 38.000 0.196 0.000 1.237 357 I HN 0.752 nan 8.210 nan 0.000 0.443 358 E N 2.119 122.399 120.200 0.133 0.000 2.340 358 E HA 0.604 4.955 4.350 0.002 0.000 0.273 358 E C -1.146 175.527 176.600 0.122 0.000 0.891 358 E CA -0.821 55.651 56.400 0.119 0.000 0.757 358 E CB 2.129 31.847 29.700 0.031 0.000 1.231 358 E HN 0.808 nan 8.360 nan 0.000 0.439 359 S N 0.724 116.529 115.700 0.175 0.000 2.561 359 S HA 0.243 4.714 4.470 0.002 0.000 0.282 359 S C 0.792 175.391 174.600 -0.002 0.000 1.123 359 S CA -0.584 57.664 58.200 0.081 0.000 1.011 359 S CB 0.234 63.587 63.200 0.255 0.000 1.244 359 S HN 0.646 nan 8.310 nan 0.000 0.503 360 H N 1.195 120.338 119.070 0.122 0.000 2.495 360 H HA 0.098 4.655 4.556 0.002 0.000 0.287 360 H C 0.140 175.504 175.328 0.060 0.000 1.033 360 H CA 1.733 57.827 56.048 0.077 0.000 1.307 360 H CB -0.238 29.561 29.762 0.062 0.000 1.401 360 H HN 0.809 nan 8.280 nan 0.000 0.555 361 D N -1.439 119.066 120.400 0.175 0.000 2.582 361 D HA 0.487 5.129 4.640 0.002 0.000 0.246 361 D C 0.105 176.417 176.300 0.020 0.000 1.334 361 D CA -0.090 53.970 54.000 0.099 0.000 0.805 361 D CB 0.822 41.687 40.800 0.108 0.000 1.087 361 D HN 0.234 nan 8.370 nan 0.000 0.499 362 A N -0.668 122.128 122.820 -0.040 0.000 2.566 362 A HA 0.719 5.040 4.320 0.002 0.000 0.290 362 A C -1.141 176.175 177.584 -0.448 0.000 1.071 362 A CA -0.793 51.072 52.037 -0.286 0.000 0.658 362 A CB 1.210 19.943 19.000 -0.445 0.000 1.285 362 A HN -0.039 nan 8.150 nan 0.000 0.427 363 T N 0.657 114.832 114.554 -0.631 0.000 2.856 363 T HA 0.757 5.108 4.350 0.002 0.000 0.283 363 T C -1.345 172.922 174.700 -0.721 0.000 1.008 363 T CA 0.087 61.914 62.100 -0.455 0.000 0.997 363 T CB 0.493 69.243 68.868 -0.197 0.000 0.992 363 T HN 0.405 nan 8.240 nan 0.000 0.454 364 F N 0.885 120.840 119.950 0.009 0.000 2.578 364 F HA 0.404 4.932 4.527 0.002 0.000 0.311 364 F C 0.376 176.170 175.800 -0.010 0.000 1.094 364 F CA -1.102 56.895 58.000 -0.005 0.000 0.923 364 F CB 1.729 40.721 39.000 -0.014 0.000 1.230 364 F HN 0.417 nan 8.300 nan 0.000 0.450 365 E N 2.103 122.389 120.200 0.143 0.000 2.200 365 E HA 0.490 4.842 4.350 0.002 0.000 0.283 365 E C -1.122 175.455 176.600 -0.039 0.000 1.015 365 E CA -0.667 55.753 56.400 0.033 0.000 0.819 365 E CB 2.200 31.904 29.700 0.006 0.000 1.081 365 E HN 0.247 nan 8.360 nan 0.000 0.397 366 V N 4.053 123.849 119.914 -0.197 0.000 2.398 366 V HA 0.212 4.333 4.120 0.002 0.000 0.286 366 V C 0.041 175.882 176.094 -0.422 0.000 1.026 366 V CA -0.748 61.339 62.300 -0.354 0.000 0.868 366 V CB 1.285 32.721 31.823 -0.644 0.000 0.982 366 V HN 0.561 nan 8.190 nan 0.000 0.443 367 K N 2.989 123.238 120.400 -0.252 0.000 2.110 367 K HA 0.415 4.737 4.320 0.002 0.000 0.263 367 K C -0.036 176.452 176.600 -0.186 0.000 0.975 367 K CA -0.845 55.327 56.287 -0.191 0.000 0.895 367 K CB 1.537 33.980 32.500 -0.095 0.000 1.060 367 K HN 0.543 nan 8.250 nan 0.000 0.448 368 K N 0.611 120.928 120.400 -0.138 0.000 2.550 368 K HA -0.132 4.189 4.320 0.002 0.000 0.280 368 K C 0.716 177.283 176.600 -0.055 0.000 0.987 368 K CA 1.488 57.724 56.287 -0.084 0.000 1.048 368 K CB -0.010 32.467 32.500 -0.039 0.000 0.879 368 K HN 0.829 nan 8.250 nan 0.000 0.491 369 G N 2.692 111.471 108.800 -0.034 0.000 2.241 369 G HA2 -0.256 3.705 3.960 0.002 0.000 0.244 369 G HA3 -0.256 3.705 3.960 0.002 0.000 0.244 369 G C -0.238 174.649 174.900 -0.022 0.000 0.998 369 G CA 0.150 45.238 45.100 -0.021 0.000 0.621 369 G HN 0.686 nan 8.290 nan 0.000 0.519 370 E N 0.218 120.395 120.200 -0.038 0.000 2.373 370 E HA 0.457 4.808 4.350 0.002 0.000 0.267 370 E C 0.268 176.871 176.600 0.005 0.000 1.032 370 E CA -0.416 55.969 56.400 -0.024 0.000 0.889 370 E CB 0.799 30.475 29.700 -0.040 0.000 0.984 370 E HN 0.262 nan 8.360 nan 0.000 0.425 371 M N 4.051 123.668 119.600 0.029 0.000 2.120 371 M HA 0.212 4.693 4.480 0.002 0.000 0.354 371 M C -1.457 174.900 176.300 0.095 0.000 1.287 371 M CA 0.064 55.413 55.300 0.082 0.000 1.103 371 M CB 0.223 32.890 32.600 0.111 0.000 1.623 371 M HN 0.371 nan 8.290 nan 0.000 0.471 372 L N 5.847 127.118 121.223 0.080 0.000 2.307 372 L HA 0.571 4.912 4.340 0.002 0.000 0.282 372 L C -0.969 175.901 176.870 -0.000 0.000 1.051 372 L CA -0.523 54.320 54.840 0.006 0.000 0.804 372 L CB 1.055 43.086 42.059 -0.046 0.000 1.197 372 L HN 0.684 nan 8.230 nan 0.000 0.431 373 F N 1.753 121.536 119.950 -0.280 0.000 2.556 373 F HA 0.785 5.313 4.527 0.002 0.000 0.314 373 F C -0.127 175.395 175.800 -0.463 0.000 1.106 373 F CA -0.821 56.875 58.000 -0.508 0.000 0.911 373 F CB 1.976 40.653 39.000 -0.539 0.000 1.190 373 F HN 0.316 nan 8.300 nan 0.000 0.448 374 G N 4.160 112.112 108.800 -1.413 0.000 2.544 374 G HA2 0.385 4.347 3.960 0.002 0.000 0.313 374 G HA3 0.385 4.347 3.960 0.002 0.000 0.313 374 G C -2.457 171.853 174.900 -0.983 0.000 1.316 374 G CA -0.555 43.892 45.100 -1.089 0.000 0.944 374 G HN 0.662 nan 8.290 nan 0.000 0.489 375 Y N 2.416 122.171 120.300 -0.908 0.000 2.700 375 Y HA 0.218 4.769 4.550 0.002 0.000 0.333 375 Y C 1.671 177.508 175.900 -0.104 0.000 1.036 375 Y CA -0.660 57.110 58.100 -0.549 0.000 1.287 375 Y CB 0.972 38.906 38.460 -0.877 0.000 1.132 375 Y HN 0.728 nan 8.280 nan 0.000 0.510 376 Q N 4.676 124.397 119.800 -0.133 0.000 2.096 376 Q HA -0.200 4.142 4.340 0.002 0.000 0.208 376 Q C -0.854 175.023 176.000 -0.204 0.000 0.993 376 Q CA 2.363 58.035 55.803 -0.217 0.000 0.862 376 Q CB -0.549 28.172 28.738 -0.029 0.000 0.915 376 Q HN 0.523 nan 8.270 nan 0.000 0.416 377 P HA -0.178 nan 4.420 nan 0.000 0.216 377 P C 0.607 178.007 177.300 0.168 0.000 1.150 377 P CA 1.244 64.295 63.100 -0.082 0.000 0.843 377 P CB -0.103 31.498 31.700 -0.164 0.000 0.787 378 F N -0.467 119.429 119.950 -0.090 0.000 2.234 378 F HA 0.058 4.586 4.527 0.002 0.000 0.296 378 F C 2.424 178.238 175.800 0.024 0.000 1.089 378 F CA 0.658 58.695 58.000 0.062 0.000 1.343 378 F CB -1.503 37.603 39.000 0.177 0.000 1.040 378 F HN -0.127 nan 8.300 nan 0.000 0.498 379 A N -0.326 122.585 122.820 0.153 0.000 1.898 379 A HA -0.165 4.156 4.320 0.002 0.000 0.216 379 A C 2.052 179.646 177.584 0.017 0.000 1.181 379 A CA 2.093 54.177 52.037 0.078 0.000 0.620 379 A CB -1.401 17.529 19.000 -0.118 0.000 0.819 379 A HN 0.366 nan 8.150 nan 0.000 0.442 380 T N -3.344 111.189 114.554 -0.035 0.000 3.219 380 T HA 0.246 4.597 4.350 0.002 0.000 0.249 380 T C 0.749 175.499 174.700 0.084 0.000 1.099 380 T CA 0.528 62.615 62.100 -0.021 0.000 0.988 380 T CB -0.123 68.703 68.868 -0.071 0.000 0.999 380 T HN 0.395 nan 8.240 nan 0.000 0.550 381 K N 1.124 121.568 120.400 0.073 0.000 2.676 381 K HA 0.152 4.473 4.320 0.002 0.000 0.205 381 K C -0.533 176.098 176.600 0.051 0.000 1.084 381 K CA -0.410 55.907 56.287 0.050 0.000 1.057 381 K CB 0.533 33.021 32.500 -0.020 0.000 0.791 381 K HN 0.178 nan 8.250 nan 0.000 0.484 382 D N 2.771 123.215 120.400 0.073 0.000 2.346 382 D HA 0.015 4.657 4.640 0.002 0.000 0.260 382 D C -1.256 175.023 176.300 -0.036 0.000 1.252 382 D CA -1.935 52.079 54.000 0.024 0.000 0.895 382 D CB 1.365 42.189 40.800 0.039 0.000 1.097 382 D HN 0.044 nan 8.370 nan 0.000 0.489 383 P HA -0.149 nan 4.420 nan 0.000 0.221 383 P C 0.603 177.820 177.300 -0.137 0.000 1.145 383 P CA 0.879 63.936 63.100 -0.072 0.000 0.795 383 P CB 0.332 31.994 31.700 -0.063 0.000 0.775 384 K N -0.688 119.591 120.400 -0.201 0.000 2.505 384 K HA 0.118 4.439 4.320 0.002 0.000 0.192 384 K C 1.337 177.747 176.600 -0.318 0.000 1.025 384 K CA 0.059 56.172 56.287 -0.290 0.000 1.086 384 K CB 0.278 32.457 32.500 -0.535 0.000 0.840 384 K HN 0.081 nan 8.250 nan 0.000 0.514 385 V N -0.524 119.161 119.914 -0.380 0.000 3.103 385 V HA 0.156 4.278 4.120 0.002 0.000 0.229 385 V C -0.342 175.334 176.094 -0.696 0.000 1.304 385 V CA 0.207 62.093 62.300 -0.690 0.000 1.298 385 V CB 0.398 31.551 31.823 -1.117 0.000 1.093 385 V HN -0.039 nan 8.190 nan 0.000 0.489 386 F N 1.535 121.335 119.950 -0.250 0.000 2.426 386 F HA 0.550 5.079 4.527 0.002 0.000 0.348 386 F C -0.025 175.666 175.800 -0.181 0.000 1.124 386 F CA -1.545 56.322 58.000 -0.222 0.000 1.008 386 F CB 0.901 39.770 39.000 -0.220 0.000 1.139 386 F HN 0.013 nan 8.300 nan 0.000 0.452 387 D N 2.588 122.997 120.400 0.015 0.000 2.389 387 D HA 0.212 4.853 4.640 0.002 0.000 0.247 387 D C 0.133 176.409 176.300 -0.040 0.000 1.128 387 D CA 0.142 54.121 54.000 -0.036 0.000 0.884 387 D CB 0.524 41.291 40.800 -0.056 0.000 1.194 387 D HN 0.590 nan 8.370 nan 0.000 0.441 388 R N 2.177 122.650 120.500 -0.044 0.000 3.188 388 R HA -0.122 4.219 4.340 0.002 0.000 0.247 388 R C -1.722 174.539 176.300 -0.066 0.000 0.918 388 R CA 0.433 56.503 56.100 -0.051 0.000 0.629 388 R CB -1.202 29.064 30.300 -0.057 0.000 1.087 388 R HN 0.596 nan 8.270 nan 0.000 0.462 389 P HA -0.189 nan 4.420 nan 0.000 0.219 389 P C 0.597 177.839 177.300 -0.096 0.000 1.146 389 P CA 1.266 64.331 63.100 -0.059 0.000 0.808 389 P CB 0.227 31.922 31.700 -0.007 0.000 0.779 390 E N 0.040 120.203 120.200 -0.062 0.000 2.481 390 E HA 0.044 4.395 4.350 0.002 0.000 0.195 390 E C 0.499 177.079 176.600 -0.033 0.000 1.047 390 E CA 0.387 56.767 56.400 -0.034 0.000 0.867 390 E CB 0.070 29.773 29.700 0.005 0.000 0.858 390 E HN 0.556 nan 8.360 nan 0.000 0.513 391 E N 0.247 120.407 120.200 -0.065 0.000 2.242 391 E HA 0.155 4.506 4.350 0.002 0.000 0.275 391 E C -0.889 175.631 176.600 -0.134 0.000 1.002 391 E CA -0.697 55.677 56.400 -0.044 0.000 0.841 391 E CB 1.157 30.841 29.700 -0.026 0.000 1.109 391 E HN -0.015 nan 8.360 nan 0.000 0.394 392 Y N 2.591 122.759 120.300 -0.220 0.000 2.452 392 Y HA 0.211 4.762 4.550 0.002 0.000 0.348 392 Y C -0.892 174.918 175.900 -0.149 0.000 0.985 392 Y CA -0.395 57.523 58.100 -0.302 0.000 1.214 392 Y CB 0.407 38.704 38.460 -0.270 0.000 1.136 392 Y HN 0.165 nan 8.280 nan 0.000 0.523 393 V N 10.566 130.169 119.914 -0.519 0.000 2.275 393 V HA 0.185 4.306 4.120 0.002 0.000 0.272 393 V C -1.709 174.110 176.094 -0.458 0.000 1.028 393 V CA -1.650 60.438 62.300 -0.353 0.000 0.810 393 V CB 1.156 32.811 31.823 -0.280 0.000 1.043 393 V HN 0.726 nan 8.190 nan 0.000 0.453 394 P HA -0.216 nan 4.420 nan 0.000 0.218 394 P C 0.949 178.180 177.300 -0.115 0.000 1.154 394 P CA 1.683 64.676 63.100 -0.178 0.000 0.872 394 P CB 0.164 31.886 31.700 0.036 0.000 0.790 395 D N -1.766 118.569 120.400 -0.109 0.000 2.342 395 D HA -0.017 4.624 4.640 0.002 0.000 0.221 395 D C 1.662 177.884 176.300 -0.130 0.000 1.101 395 D CA -0.152 53.804 54.000 -0.074 0.000 0.837 395 D CB -0.717 40.049 40.800 -0.057 0.000 0.938 395 D HN 0.096 nan 8.370 nan 0.000 0.508 396 R N 0.010 120.362 120.500 -0.248 0.000 2.133 396 R HA -0.151 4.190 4.340 0.002 0.000 0.247 396 R C 0.448 176.406 176.300 -0.570 0.000 1.151 396 R CA 1.221 57.045 56.100 -0.460 0.000 0.971 396 R CB -0.234 29.646 30.300 -0.700 0.000 0.866 396 R HN 0.120 nan 8.270 nan 0.000 0.447 397 F N 0.014 119.940 119.950 -0.040 0.000 2.668 397 F HA 0.240 4.768 4.527 0.002 0.000 0.297 397 F C -0.163 175.651 175.800 0.023 0.000 1.124 397 F CA -0.405 57.596 58.000 0.002 0.000 1.353 397 F CB 0.773 39.792 39.000 0.031 0.000 0.992 397 F HN -0.251 nan 8.300 nan 0.000 0.524 398 V N -0.077 119.887 119.914 0.084 0.000 2.567 398 V HA 0.663 4.784 4.120 0.002 0.000 0.289 398 V C 1.083 177.197 176.094 0.033 0.000 1.049 398 V CA -0.065 62.273 62.300 0.064 0.000 0.969 398 V CB 0.729 32.567 31.823 0.025 0.000 0.995 398 V HN 0.561 nan 8.190 nan 0.000 0.471 399 G N 3.804 112.626 108.800 0.036 0.000 2.646 399 G HA2 -0.339 3.622 3.960 0.002 0.000 0.324 399 G HA3 -0.339 3.622 3.960 0.002 0.000 0.324 399 G C 0.719 175.632 174.900 0.022 0.000 1.195 399 G CA 0.708 45.820 45.100 0.020 0.000 0.976 399 G HN 0.667 nan 8.290 nan 0.000 0.546 400 D N 1.804 122.208 120.400 0.006 0.000 2.310 400 D HA 0.033 4.674 4.640 0.002 0.000 0.212 400 D C 2.458 178.767 176.300 0.014 0.000 0.965 400 D CA 1.459 55.463 54.000 0.006 0.000 0.879 400 D CB -0.825 39.970 40.800 -0.008 0.000 0.921 400 D HN 0.590 nan 8.370 nan 0.000 0.510 401 G N 1.079 109.882 108.800 0.005 0.000 2.462 401 G HA2 -0.262 3.700 3.960 0.002 0.000 0.220 401 G HA3 -0.262 3.700 3.960 0.002 0.000 0.220 401 G C 1.449 176.436 174.900 0.144 0.000 1.121 401 G CA 0.287 45.384 45.100 -0.004 0.000 0.758 401 G HN 0.307 nan 8.290 nan 0.000 0.559 402 E N 0.402 120.681 120.200 0.132 0.000 2.267 402 E HA -0.076 4.275 4.350 0.002 0.000 0.197 402 E C 2.706 179.361 176.600 0.091 0.000 0.998 402 E CA 0.540 57.012 56.400 0.121 0.000 0.830 402 E CB -0.118 29.622 29.700 0.067 0.000 0.751 402 E HN 0.461 nan 8.360 nan 0.000 0.491 403 A N 0.475 123.343 122.820 0.081 0.000 2.216 403 A HA -0.061 4.260 4.320 0.002 0.000 0.214 403 A C 1.876 179.522 177.584 0.105 0.000 1.160 403 A CA 0.666 52.741 52.037 0.063 0.000 0.725 403 A CB -0.154 18.873 19.000 0.045 0.000 0.784 403 A HN 0.151 nan 8.150 nan 0.000 0.472 404 L N -1.161 120.183 121.223 0.202 0.000 2.590 404 L HA 0.164 4.505 4.340 0.002 0.000 0.227 404 L C 1.744 178.832 176.870 0.364 0.000 1.099 404 L CA -0.058 54.993 54.840 0.352 0.000 0.872 404 L CB -0.189 42.133 42.059 0.438 0.000 1.088 404 L HN 0.292 nan 8.230 nan 0.000 0.479 405 L N 0.593 121.913 121.223 0.162 0.000 2.270 405 L HA -0.270 4.071 4.340 0.002 0.000 0.217 405 L C 2.596 179.389 176.870 -0.129 0.000 1.107 405 L CA 1.278 56.025 54.840 -0.155 0.000 0.772 405 L CB -0.526 41.347 42.059 -0.309 0.000 0.902 405 L HN 0.338 nan 8.230 nan 0.000 0.439 406 K N -0.185 120.143 120.400 -0.121 0.000 2.211 406 K HA -0.208 4.113 4.320 0.002 0.000 0.204 406 K C 1.617 178.068 176.600 -0.248 0.000 1.047 406 K CA 1.530 57.683 56.287 -0.224 0.000 0.935 406 K CB 0.001 32.254 32.500 -0.411 0.000 0.728 406 K HN 0.297 nan 8.250 nan 0.000 0.452 407 Y N -0.296 119.944 120.300 -0.099 0.000 2.478 407 Y HA 0.098 4.649 4.550 0.002 0.000 0.261 407 Y C 0.374 175.664 175.900 -1.016 0.000 1.127 407 Y CA -0.309 57.416 58.100 -0.626 0.000 1.288 407 Y CB 0.568 38.728 38.460 -0.499 0.000 1.084 407 Y HN -0.287 nan 8.280 nan 0.000 0.530 408 V N 1.268 121.006 119.914 -0.292 0.000 2.415 408 V HA -0.098 4.024 4.120 0.002 0.000 0.267 408 V C -0.138 175.941 176.094 -0.023 0.000 1.042 408 V CA -0.122 62.072 62.300 -0.176 0.000 1.000 408 V CB -0.051 31.663 31.823 -0.182 0.000 1.015 408 V HN 0.427 nan 8.190 nan 0.000 0.478 409 W N 5.036 126.399 121.300 0.104 0.000 2.818 409 W HA 0.204 4.865 4.660 0.002 0.000 0.403 409 W C 1.627 178.153 176.519 0.011 0.000 0.991 409 W CA -1.166 56.193 57.345 0.023 0.000 1.925 409 W CB -0.441 29.136 29.460 0.194 0.000 1.166 409 W HN 0.941 nan 8.180 nan 0.000 0.605 410 W N 1.347 122.795 121.300 0.246 0.000 2.308 410 W HA -0.234 4.428 4.660 0.002 0.000 0.301 410 W C 1.330 177.983 176.519 0.223 0.000 1.220 410 W CA 1.873 59.344 57.345 0.210 0.000 1.240 410 W CB -1.727 27.828 29.460 0.159 0.000 1.142 410 W HN 0.038 nan 8.180 nan 0.000 0.521 411 S N 1.025 116.025 115.700 -1.167 0.000 2.650 411 S HA -0.023 4.448 4.470 0.002 0.000 0.219 411 S C 0.720 175.079 174.600 -0.403 0.000 0.960 411 S CA 0.567 58.056 58.200 -1.184 0.000 0.925 411 S CB -1.096 61.151 63.200 -1.588 0.000 0.775 411 S HN 0.416 nan 8.310 nan 0.000 0.525 412 N N 0.168 118.785 118.700 -0.137 0.000 2.780 412 N HA -0.070 4.672 4.740 0.002 0.000 0.247 412 N C -0.168 175.094 175.510 -0.414 0.000 1.076 412 N CA 1.052 54.131 53.050 0.047 0.000 0.688 412 N CB -1.356 37.213 38.487 0.137 0.000 0.957 412 N HN 1.050 nan 8.380 nan 0.000 0.551 413 G N -1.267 107.018 108.800 -0.858 0.000 2.355 413 G HA2 0.412 4.373 3.960 0.002 0.000 0.296 413 G HA3 0.412 4.373 3.960 0.002 0.000 0.296 413 G C -3.361 171.140 174.900 -0.666 0.000 1.507 413 G CA -0.725 43.602 45.100 -1.289 0.000 0.823 413 G HN 0.073 nan 8.290 nan 0.000 0.569 414 P HA 0.193 nan 4.420 nan 0.000 0.268 414 P C 0.544 177.808 177.300 -0.060 0.000 1.204 414 P CA -0.012 63.108 63.100 0.032 0.000 0.768 414 P CB 1.263 32.961 31.700 -0.003 0.000 0.842 415 E N 2.324 122.511 120.200 -0.022 0.000 2.209 415 E HA -0.183 4.168 4.350 0.002 0.000 0.196 415 E C 1.319 177.885 176.600 -0.057 0.000 0.993 415 E CA 2.076 58.444 56.400 -0.054 0.000 0.819 415 E CB -0.873 28.759 29.700 -0.114 0.000 0.745 415 E HN 0.497 nan 8.360 nan 0.000 0.477 416 T N -2.263 112.247 114.554 -0.073 0.000 3.113 416 T HA 0.014 4.365 4.350 0.002 0.000 0.263 416 T C 0.573 175.244 174.700 -0.049 0.000 1.143 416 T CA 0.342 62.406 62.100 -0.060 0.000 1.090 416 T CB -0.109 68.721 68.868 -0.064 0.000 0.922 416 T HN 0.087 nan 8.240 nan 0.000 0.521 417 E N 0.587 120.747 120.200 -0.066 0.000 2.243 417 E HA 0.655 5.007 4.350 0.002 0.000 0.260 417 E C -0.887 175.678 176.600 -0.058 0.000 0.985 417 E CA -0.916 55.443 56.400 -0.068 0.000 0.858 417 E CB 1.788 31.429 29.700 -0.099 0.000 1.210 417 E HN 0.076 nan 8.360 nan 0.000 0.411 418 S N 1.436 117.109 115.700 -0.044 0.000 2.568 418 S HA 0.450 4.921 4.470 0.002 0.000 0.293 418 S C -2.554 172.044 174.600 -0.003 0.000 1.089 418 S CA -1.316 56.870 58.200 -0.023 0.000 0.945 418 S CB 1.683 64.866 63.200 -0.028 0.000 1.077 418 S HN 0.370 nan 8.310 nan 0.000 0.485 419 P HA 0.169 nan 4.420 nan 0.000 0.268 419 P C -0.516 176.908 177.300 0.207 0.000 1.204 419 P CA 0.007 63.197 63.100 0.151 0.000 0.768 419 P CB 0.400 32.263 31.700 0.271 0.000 0.842 420 T N -1.946 112.741 114.554 0.222 0.000 2.887 420 T HA 0.310 4.661 4.350 0.002 0.000 0.292 420 T C 1.156 176.019 174.700 0.271 0.000 1.087 420 T CA -0.521 61.715 62.100 0.226 0.000 1.009 420 T CB 1.008 69.942 68.868 0.110 0.000 1.203 420 T HN 0.151 nan 8.240 nan 0.000 0.518 421 V N -1.266 118.796 119.914 0.247 0.000 2.913 421 V HA 0.068 4.190 4.120 0.002 0.000 0.260 421 V C 1.869 178.131 176.094 0.279 0.000 1.098 421 V CA 1.332 63.741 62.300 0.180 0.000 1.121 421 V CB -1.325 30.569 31.823 0.118 0.000 0.714 421 V HN 0.819 nan 8.190 nan 0.000 0.487 422 E N 1.981 122.293 120.200 0.186 0.000 2.122 422 E HA 0.059 4.410 4.350 0.002 0.000 0.190 422 E C 1.068 177.724 176.600 0.093 0.000 0.977 422 E CA 0.949 57.421 56.400 0.120 0.000 0.820 422 E CB -0.234 29.506 29.700 0.067 0.000 0.770 422 E HN 0.995 nan 8.360 nan 0.000 0.462 423 N N -0.315 118.454 118.700 0.116 0.000 2.538 423 N HA 0.130 4.871 4.740 0.002 0.000 0.292 423 N C 0.134 175.708 175.510 0.107 0.000 1.262 423 N CA -0.407 52.685 53.050 0.069 0.000 0.976 423 N CB 0.533 39.044 38.487 0.040 0.000 1.161 423 N HN -0.320 nan 8.380 nan 0.000 0.598 424 K N -0.914 119.525 120.400 0.065 0.000 2.537 424 K HA 0.128 4.450 4.320 0.002 0.000 0.206 424 K C -0.346 176.305 176.600 0.084 0.000 1.041 424 K CA -0.186 56.157 56.287 0.092 0.000 1.090 424 K CB -0.015 32.513 32.500 0.047 0.000 0.833 424 K HN 0.692 nan 8.250 nan 0.000 0.493 425 Q N 0.688 120.516 119.800 0.046 0.000 2.373 425 Q HA 0.033 4.374 4.340 0.002 0.000 0.255 425 Q C -0.264 175.753 176.000 0.029 0.000 0.980 425 Q CA -0.096 55.694 55.803 -0.021 0.000 0.882 425 Q CB 0.944 29.631 28.738 -0.085 0.000 1.249 425 Q HN 0.271 nan 8.270 nan 0.000 0.438 426 C N 3.889 123.182 119.300 -0.011 0.000 2.298 426 C HA 0.006 4.468 4.460 0.002 0.000 0.395 426 C C 1.627 176.699 174.990 0.136 0.000 1.526 426 C CA 0.465 59.526 59.018 0.072 0.000 1.458 426 C CB -1.290 26.468 27.740 0.031 0.000 2.506 426 C HN 0.911 nan 8.230 nan 0.000 0.604 427 A N 4.464 127.368 122.820 0.141 0.000 2.121 427 A HA 0.146 4.467 4.320 0.002 0.000 0.218 427 A C 1.835 179.602 177.584 0.305 0.000 1.154 427 A CA 1.557 53.699 52.037 0.175 0.000 0.679 427 A CB -0.383 18.559 19.000 -0.096 0.000 0.795 427 A HN 1.454 nan 8.150 nan 0.000 0.458 428 G N -0.970 108.009 108.800 0.297 0.000 3.805 428 G HA2 0.233 4.194 3.960 0.002 0.000 0.290 428 G HA3 0.233 4.194 3.960 0.002 0.000 0.290 428 G C 0.909 176.102 174.900 0.488 0.000 1.077 428 G CA 0.427 45.755 45.100 0.380 0.000 0.852 428 G HN 0.478 nan 8.290 nan 0.000 0.531 429 K N 0.673 121.315 120.400 0.404 0.000 2.034 429 K HA -0.178 4.143 4.320 0.002 0.000 0.214 429 K C 1.657 178.554 176.600 0.494 0.000 1.051 429 K CA 1.975 58.540 56.287 0.463 0.000 0.931 429 K CB 0.018 32.619 32.500 0.167 0.000 0.715 429 K HN 0.147 nan 8.250 nan 0.000 0.446 430 D N -0.248 120.355 120.400 0.339 0.000 2.144 430 D HA -0.161 4.481 4.640 0.002 0.000 0.199 430 D C 1.733 178.191 176.300 0.263 0.000 0.984 430 D CA 0.871 55.028 54.000 0.260 0.000 0.834 430 D CB -0.250 40.659 40.800 0.182 0.000 0.955 430 D HN 0.215 nan 8.370 nan 0.000 0.465 431 F N 1.738 121.805 119.950 0.195 0.000 2.102 431 F HA -0.222 4.306 4.527 0.002 0.000 0.298 431 F C 2.328 178.217 175.800 0.149 0.000 1.105 431 F CA 1.433 59.537 58.000 0.173 0.000 1.239 431 F CB -0.398 38.737 39.000 0.226 0.000 0.991 431 F HN -0.113 nan 8.300 nan 0.000 0.474 432 V N -0.975 119.107 119.914 0.279 0.000 2.427 432 V HA -0.155 3.966 4.120 0.002 0.000 0.248 432 V C 1.998 178.030 176.094 -0.103 0.000 1.051 432 V CA 1.964 64.302 62.300 0.062 0.000 1.048 432 V CB -1.025 30.841 31.823 0.071 0.000 0.666 432 V HN 0.188 nan 8.190 nan 0.000 0.456 433 V N 0.227 120.128 119.914 -0.022 0.000 2.427 433 V HA -0.160 3.961 4.120 0.002 0.000 0.248 433 V C 2.559 178.548 176.094 -0.175 0.000 1.051 433 V CA 2.309 64.550 62.300 -0.098 0.000 1.048 433 V CB -0.555 31.302 31.823 0.057 0.000 0.666 433 V HN 0.635 nan 8.190 nan 0.000 0.456 434 L N 1.203 122.327 121.223 -0.165 0.000 2.005 434 L HA -0.100 4.241 4.340 0.002 0.000 0.207 434 L C 2.277 178.908 176.870 -0.398 0.000 1.072 434 L CA 2.280 56.972 54.840 -0.246 0.000 0.744 434 L CB -0.721 41.215 42.059 -0.205 0.000 0.895 434 L HN 0.478 nan 8.230 nan 0.000 0.433 435 I N -3.657 116.615 120.570 -0.496 0.000 2.614 435 I HA -0.154 4.018 4.170 0.002 0.000 0.258 435 I C 1.790 177.633 176.117 -0.456 0.000 1.189 435 I CA 1.584 62.504 61.300 -0.634 0.000 1.462 435 I CB -1.056 36.627 38.000 -0.528 0.000 1.092 435 I HN 0.191 nan 8.210 nan 0.000 0.442 436 T N 0.932 115.336 114.554 -0.251 0.000 2.851 436 T HA 0.018 4.369 4.350 0.002 0.000 0.262 436 T C 2.010 176.544 174.700 -0.275 0.000 1.043 436 T CA 1.077 63.053 62.100 -0.207 0.000 1.140 436 T CB -0.160 68.631 68.868 -0.128 0.000 0.872 436 T HN 0.391 nan 8.240 nan 0.000 0.446 437 R N 0.672 120.996 120.500 -0.293 0.000 2.081 437 R HA 0.071 4.412 4.340 0.002 0.000 0.235 437 R C 2.378 178.494 176.300 -0.308 0.000 1.131 437 R CA 1.008 56.950 56.100 -0.263 0.000 0.960 437 R CB -0.539 29.610 30.300 -0.251 0.000 0.856 437 R HN 0.340 nan 8.270 nan 0.000 0.436 438 L N -0.318 120.611 121.223 -0.489 0.000 2.131 438 L HA -0.185 4.157 4.340 0.002 0.000 0.210 438 L C 2.255 178.817 176.870 -0.513 0.000 1.092 438 L CA 0.896 55.341 54.840 -0.658 0.000 0.759 438 L CB -0.393 40.907 42.059 -1.264 0.000 0.903 438 L HN 0.152 nan 8.230 nan 0.000 0.435 439 F N 0.372 119.921 119.950 -0.668 0.000 2.113 439 F HA -0.169 4.359 4.527 0.002 0.000 0.297 439 F C 2.257 177.914 175.800 -0.237 0.000 1.103 439 F CA 1.477 59.249 58.000 -0.380 0.000 1.248 439 F CB -0.453 38.000 39.000 -0.912 0.000 0.999 439 F HN -0.261 nan 8.300 nan 0.000 0.475 440 V N 0.979 120.692 119.914 -0.335 0.000 2.332 440 V HA -0.322 3.800 4.120 0.002 0.000 0.248 440 V C 2.532 178.506 176.094 -0.199 0.000 1.055 440 V CA 2.134 64.246 62.300 -0.313 0.000 1.038 440 V CB -0.695 31.074 31.823 -0.090 0.000 0.651 440 V HN 0.378 nan 8.190 nan 0.000 0.450 441 I N -0.249 120.239 120.570 -0.136 0.000 2.099 441 I HA -0.213 3.959 4.170 0.002 0.000 0.239 441 I C 2.662 178.735 176.117 -0.073 0.000 1.066 441 I CA 1.514 62.773 61.300 -0.068 0.000 1.324 441 I CB -0.480 37.468 38.000 -0.086 0.000 1.037 441 I HN 0.292 nan 8.210 nan 0.000 0.401 442 E N 0.411 120.590 120.200 -0.035 0.000 2.209 442 E HA -0.226 4.125 4.350 0.002 0.000 0.196 442 E C 2.042 178.523 176.600 -0.199 0.000 0.993 442 E CA 1.032 57.457 56.400 0.042 0.000 0.819 442 E CB -0.366 29.542 29.700 0.347 0.000 0.745 442 E HN 0.342 nan 8.360 nan 0.000 0.477 443 L N -0.467 120.524 121.223 -0.387 0.000 2.056 443 L HA -0.078 4.263 4.340 0.002 0.000 0.207 443 L C 1.607 178.053 176.870 -0.707 0.000 1.078 443 L CA 1.480 55.858 54.840 -0.770 0.000 0.749 443 L CB -0.260 41.197 42.059 -1.003 0.000 0.901 443 L HN -0.055 nan 8.230 nan 0.000 0.433 444 F N -0.994 118.820 119.950 -0.227 0.000 2.693 444 F HA 0.219 4.747 4.527 0.002 0.000 0.303 444 F C 2.138 177.846 175.800 -0.153 0.000 1.097 444 F CA 0.076 57.986 58.000 -0.150 0.000 1.330 444 F CB -0.311 38.626 39.000 -0.106 0.000 1.067 444 F HN -0.022 nan 8.300 nan 0.000 0.565 445 R N -0.462 119.988 120.500 -0.083 0.000 2.105 445 R HA 0.082 4.423 4.340 0.002 0.000 0.214 445 R C 2.230 178.414 176.300 -0.192 0.000 1.091 445 R CA 0.463 56.509 56.100 -0.090 0.000 1.007 445 R CB -0.041 30.209 30.300 -0.085 0.000 0.912 445 R HN 0.132 nan 8.270 nan 0.000 0.450 446 R N -0.385 119.871 120.500 -0.407 0.000 2.093 446 R HA 0.003 4.345 4.340 0.002 0.000 0.224 446 R C -0.258 175.569 176.300 -0.788 0.000 1.101 446 R CA 1.038 56.718 56.100 -0.699 0.000 0.979 446 R CB 0.329 29.948 30.300 -1.136 0.000 0.877 446 R HN 0.007 nan 8.270 nan 0.000 0.441 447 Y N -1.338 118.837 120.300 -0.209 0.000 2.570 447 Y HA 0.252 4.803 4.550 0.002 0.000 0.345 447 Y C 0.187 176.126 175.900 0.064 0.000 1.014 447 Y CA -1.369 56.657 58.100 -0.123 0.000 1.063 447 Y CB 1.656 39.991 38.460 -0.209 0.000 1.272 447 Y HN -0.160 nan 8.280 nan 0.000 0.477 448 D N -0.404 120.152 120.400 0.260 0.000 2.324 448 D HA 0.135 4.776 4.640 0.002 0.000 0.212 448 D C 0.219 176.718 176.300 0.332 0.000 0.984 448 D CA 0.904 55.048 54.000 0.240 0.000 0.885 448 D CB 0.671 41.553 40.800 0.136 0.000 0.996 448 D HN 0.295 nan 8.370 nan 0.000 0.505 449 S N -1.616 114.268 115.700 0.308 0.000 2.636 449 S HA 0.635 5.106 4.470 0.002 0.000 0.268 449 S C -2.064 172.664 174.600 0.214 0.000 1.159 449 S CA -0.914 57.508 58.200 0.371 0.000 0.815 449 S CB 0.525 63.877 63.200 0.254 0.000 1.130 449 S HN 0.070 nan 8.310 nan 0.000 0.471 450 F N -0.399 119.675 119.950 0.206 0.000 2.770 450 F HA 0.798 5.327 4.527 0.002 0.000 0.313 450 F C -1.381 174.505 175.800 0.144 0.000 1.154 450 F CA -0.832 57.149 58.000 -0.031 0.000 0.923 450 F CB 0.757 39.593 39.000 -0.273 0.000 1.301 450 F HN 0.574 nan 8.300 nan 0.000 0.449 451 E N 2.117 122.535 120.200 0.363 0.000 2.369 451 E HA 0.725 5.076 4.350 0.002 0.000 0.270 451 E C -1.227 175.536 176.600 0.271 0.000 0.909 451 E CA -1.174 55.376 56.400 0.251 0.000 0.775 451 E CB 3.179 32.997 29.700 0.197 0.000 1.270 451 E HN 0.705 nan 8.360 nan 0.000 0.445 452 I N -1.409 119.270 120.570 0.182 0.000 3.279 452 I HA 0.561 4.732 4.170 0.002 0.000 0.315 452 I C -1.232 174.923 176.117 0.065 0.000 1.187 452 I CA -1.022 60.352 61.300 0.123 0.000 0.953 452 I CB 1.818 39.887 38.000 0.115 0.000 1.279 452 I HN 0.728 nan 8.210 nan 0.000 0.465 453 E N 2.898 123.125 120.200 0.044 0.000 2.340 453 E HA 0.699 5.051 4.350 0.002 0.000 0.273 453 E C -1.763 174.844 176.600 0.011 0.000 0.891 453 E CA -0.989 55.425 56.400 0.024 0.000 0.757 453 E CB 2.838 32.555 29.700 0.029 0.000 1.231 453 E HN 0.647 nan 8.360 nan 0.000 0.439 454 L N 1.771 122.991 121.223 -0.005 0.000 2.331 454 L HA 0.712 5.053 4.340 0.002 0.000 0.275 454 L C 0.479 177.348 176.870 -0.000 0.000 1.022 454 L CA -0.683 54.148 54.840 -0.015 0.000 0.812 454 L CB 1.727 43.759 42.059 -0.045 0.000 1.257 454 L HN 0.859 nan 8.230 nan 0.000 0.435 455 G N 0.615 109.418 108.800 0.005 0.000 3.217 455 G HA2 0.536 4.498 3.960 0.002 0.000 0.213 455 G HA3 0.536 4.498 3.960 0.002 0.000 0.213 455 G C -1.622 173.285 174.900 0.012 0.000 1.294 455 G CA -0.237 44.871 45.100 0.013 0.000 0.987 455 G HN 0.546 nan 8.290 nan 0.000 0.584 456 E N -1.343 118.868 120.200 0.019 0.000 2.312 456 E HA 0.612 4.964 4.350 0.002 0.000 0.267 456 E C -0.772 175.844 176.600 0.027 0.000 0.894 456 E CA -0.603 55.810 56.400 0.022 0.000 0.773 456 E CB 2.054 31.769 29.700 0.024 0.000 1.241 456 E HN 0.810 nan 8.360 nan 0.000 0.432 457 S N 1.469 117.188 115.700 0.031 0.000 2.688 457 S HA 0.278 4.749 4.470 0.002 0.000 0.266 457 S C -2.552 172.073 174.600 0.041 0.000 1.061 457 S CA -0.864 57.356 58.200 0.034 0.000 0.844 457 S CB 1.029 64.249 63.200 0.033 0.000 1.103 457 S HN 0.478 nan 8.310 nan 0.000 0.471 458 P HA 0.254 nan 4.420 nan 0.000 0.245 458 P C 0.763 178.100 177.300 0.061 0.000 1.212 458 P CA 0.274 63.406 63.100 0.053 0.000 0.774 458 P CB -0.139 31.588 31.700 0.047 0.000 0.999 459 L N -1.742 119.513 121.223 0.053 0.000 2.607 459 L HA 0.288 4.630 4.340 0.002 0.000 0.228 459 L C 1.759 178.666 176.870 0.062 0.000 1.123 459 L CA 0.606 55.477 54.840 0.052 0.000 0.890 459 L CB -0.337 41.744 42.059 0.037 0.000 1.103 459 L HN 0.125 nan 8.230 nan 0.000 0.468 460 G N 0.492 109.329 108.800 0.062 0.000 4.024 460 G HA2 -0.186 3.775 3.960 0.002 0.000 0.206 460 G HA3 -0.186 3.775 3.960 0.002 0.000 0.206 460 G C 0.083 175.002 174.900 0.033 0.000 1.608 460 G CA -0.096 45.042 45.100 0.063 0.000 1.221 460 G HN 0.493 nan 8.290 nan 0.000 0.623 461 A N -0.198 122.631 122.820 0.015 0.000 2.408 461 A HA 0.969 5.290 4.320 0.002 0.000 0.295 461 A C -0.146 177.444 177.584 0.010 0.000 1.040 461 A CA 0.882 52.914 52.037 -0.008 0.000 0.707 461 A CB 1.444 20.405 19.000 -0.065 0.000 1.235 461 A HN 2.253 nan 8.150 nan 0.000 0.418 462 A N 2.050 124.882 122.820 0.020 0.000 2.309 462 A HA 0.593 4.914 4.320 0.002 0.000 0.290 462 A C -0.153 177.456 177.584 0.043 0.000 1.206 462 A CA -0.245 51.818 52.037 0.042 0.000 0.850 462 A CB 0.043 19.067 19.000 0.040 0.000 1.118 462 A HN 1.154 nan 8.150 nan 0.000 0.523 463 V N 3.023 122.982 119.914 0.076 0.000 2.439 463 V HA 0.513 4.634 4.120 0.002 0.000 0.282 463 V C 0.346 176.505 176.094 0.107 0.000 1.039 463 V CA -0.081 62.258 62.300 0.064 0.000 0.913 463 V CB 1.561 33.401 31.823 0.030 0.000 0.983 463 V HN 0.911 nan 8.190 nan 0.000 0.460 464 T N 5.974 120.571 114.554 0.072 0.000 2.841 464 T HA 0.551 4.902 4.350 0.002 0.000 0.285 464 T C -0.417 174.323 174.700 0.068 0.000 0.991 464 T CA -0.407 61.742 62.100 0.082 0.000 0.966 464 T CB 1.146 70.052 68.868 0.062 0.000 0.962 464 T HN 0.346 nan 8.240 nan 0.000 0.438 465 L N 3.050 124.314 121.223 0.068 0.000 2.349 465 L HA 0.366 4.707 4.340 0.002 0.000 0.275 465 L C 1.660 178.570 176.870 0.067 0.000 1.115 465 L CA -0.272 54.594 54.840 0.043 0.000 0.820 465 L CB 1.061 43.111 42.059 -0.015 0.000 1.135 465 L HN 0.894 nan 8.230 nan 0.000 0.445 466 T N -0.779 113.836 114.554 0.103 0.000 2.964 466 T HA 0.204 4.556 4.350 0.002 0.000 0.249 466 T C -0.120 174.708 174.700 0.213 0.000 1.000 466 T CA -0.050 62.125 62.100 0.124 0.000 0.992 466 T CB 0.324 69.257 68.868 0.109 0.000 1.087 466 T HN 0.215 nan 8.240 nan 0.000 0.489 467 F N 0.991 120.950 119.950 0.015 0.000 2.608 467 F HA 0.696 5.225 4.527 0.002 0.000 0.309 467 F C -2.253 173.528 175.800 -0.032 0.000 1.103 467 F CA -2.275 55.726 58.000 0.001 0.000 0.954 467 F CB 1.890 40.899 39.000 0.016 0.000 1.267 467 F HN -0.049 nan 8.300 nan 0.000 0.444 468 L N 5.884 126.561 121.223 -0.911 0.000 2.492 468 L HA 0.331 4.672 4.340 0.002 0.000 0.258 468 L C -0.733 175.573 176.870 -0.940 0.000 1.028 468 L CA -0.658 53.633 54.840 -0.915 0.000 0.900 468 L CB 1.582 43.177 42.059 -0.773 0.000 1.191 468 L HN 0.578 nan 8.230 nan 0.000 0.459 469 K N 4.348 124.179 120.400 -0.949 0.000 2.278 469 K HA 0.299 4.620 4.320 0.002 0.000 0.289 469 K C 0.123 176.712 176.600 -0.019 0.000 1.080 469 K CA -0.444 55.595 56.287 -0.413 0.000 0.934 469 K CB 0.494 32.909 32.500 -0.142 0.000 1.093 469 K HN 0.472 nan 8.250 nan 0.000 0.459 470 R N 2.179 122.721 120.500 0.071 0.000 2.774 470 R HA 0.053 4.394 4.340 0.002 0.000 0.269 470 R C 1.134 177.473 176.300 0.064 0.000 1.068 470 R CA 0.262 56.452 56.100 0.151 0.000 1.180 470 R CB 0.623 30.979 30.300 0.092 0.000 1.077 470 R HN 0.809 nan 8.270 nan 0.000 0.513 471 A N 1.480 124.302 122.820 0.004 0.000 1.824 471 A HA -0.116 4.205 4.320 0.002 0.000 0.215 471 A C 0.962 178.550 177.584 0.007 0.000 1.209 471 A CA 1.418 53.455 52.037 0.000 0.000 0.614 471 A CB -0.608 18.367 19.000 -0.042 0.000 0.852 471 A HN 0.804 nan 8.150 nan 0.000 0.447 472 S N 0.000 115.696 115.700 -0.007 0.000 2.498 472 S HA 0.000 4.471 4.470 0.002 0.000 0.327 472 S CA 0.000 58.201 58.200 0.001 0.000 1.107 472 S CB 0.000 63.208 63.200 0.013 0.000 0.593 472 S HN 0.000 nan 8.310 nan 0.000 0.517